| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 39.8 | Very low | 240 Ų | 240 | 133 Ų | 133 | 100% | 1.182 | 75% | 0.752 | S | S | * | * | 0 | 106.5 | 0 | -69.8 | -76.9 | -167.6 | 0 | 0 | 106.4 | G3 | M1-G3 PolarHBondContact O-N 3.45Š| |||
| 2 | S | 41.8 | Very low | 39.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -51.7 | 128.7 | -175.7 | 19.3 | 0 | 0 | 0 | 0 | 111.3 | R4 | S2-R4 PolarHBondContact O-N 3.17Š| ||
| 3 | G | 43.7 | Very low | 40 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -57.2 | 110.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1 T5 | M1-G3 PolarHBondContact O-N 3.45Å; G3-T5 PolarHBondContact O-N 3.23Å | ||
| 4 | R | 41.3 | Very low | 40.6 | Very low | 242 Ų | 242 | 121.9 Ų | 121.9 | 91% | 0.913 | 72% | 0.723 | S | S | * | * | trans | -72 | 86 | 162.5 | -75.6 | 179 | 168.6 | -179.4 | -4.8 | 106.5 | S2 V6 | S2-R4 PolarHBondContact O-N 3.17Å; R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | T | 36.2 | Very low | 40.8 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | -66.5 | 110.1 | 167.7 | -42.7 | 0 | 0 | 0 | 0 | 106.1 | G3 | G3-T5 PolarHBondContact O-N 3.23Š| ||
| 6 | V | 39.3 | Very low | 41.3 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -55.3 | 123.3 | 169.3 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | R4 H8 | R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.12Å; V6-H8 PolarHBondContact O-N 3.23Å | ||
| 7 | P | 36.7 | Very low | 41.5 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -57.2 | 113.1 | 177.3 | 22.6 | -30.4 | 0 | 0 | 0 | 106.8 | A9 | P7-A9 PolarHBondContact O-N 3.01Š| ||
| 8 | H | 38 | Very low | 41.7 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -52.2 | 114.9 | 167.6 | -52.2 | -71.7 | 0 | 0 | 0 | 104.9 | V6 H10 | V6-H8 PolarHBondContact O-N 3.23Å; H8-H10 VanDerWaalsContact C-N 3.29Å; H8-H10 PolarHBondContact O-N 3.04Å | ||
| 9 | A | 42.3 | Very low | 42.2 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 98.4 | -179 | 0 | 0 | 0 | 0 | 0 | 107.1 | P7 P11 | P7-A9 PolarHBondContact O-N 3.01Å; A9-P11 WeakPolarHBondContact O-CD 3.37Å | ||
| 10 | H | 36.3 | Very low | 43 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -68.1 | 111.8 | 171.3 | -84.2 | -74.8 | 0 | 0 | 0 | 106.4 | H8 A12 | H8-H10 VanDerWaalsContact C-N 3.29Å; H8-H10 PolarHBondContact O-N 3.04Å; H10-A12 PolarHBondContact O-N 3.46Å | ||
| 11 | P | 44.3 | Very low | 44 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 40% | 0.396 | 68% | 0.682 | S | S | . | * | trans | -91.5 | 84.1 | -172.7 | 32 | -22.7 | 0 | 0 | 0 | 108.6 | A9 L96 | A9-P11 WeakPolarHBondContact O-CD 3.37Å; P11-L96 HydrophobicContact CB-CD2 3.85Å; P11-L96 HydrophobicContact CG-CD1 3.98Å; P11-L96 HydrophobicContact CG-CD2 4.19Å | ||
| 12 | A | 41.9 | Very low | 45.5 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | trans | -161.1 | 11.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H10 | H10-A12 PolarHBondContact O-N 3.46Š| ||
| 13 | T | 40.3 | Very low | 46.6 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | trans | -98.8 | 124.1 | 170.8 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | E15 Y16 | T13-E15 PolarHBondContact O-N 3.34Å; T13-Y16 PolarHBondContact O-N 3.03Å | ||
| 14 | A | 48.4 | Very low | 47.7 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -20.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y16 E17 | A14-Y16 PolarHBondContact O-N 3.02Å; A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.27Å; A14-E17 VanDerWaalsContact O-N 3.09Å |
| 15 | E | 43.7 | Very low | 48.6 | Very low | 157 Ų | 157 | 106.3 Ų | 106.3 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.1 | -31.6 | 172.7 | -62.6 | -176.9 | 166.2 | 0 | 0 | 113.3 | T13 | T13-E15 PolarHBondContact O-N 3.34Å |
| 16 | Y | 49.3 | Very low | 49.9 | Very low | 142 Ų | 142 | 103.7 Ų | 103.7 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.4 | -23.2 | 178.1 | -107.7 | -86.8 | 0 | 0 | 0 | 113.8 | T13 A14 F18 A19 | T13-Y16 PolarHBondContact O-N 3.03Å; A14-Y16 PolarHBondContact O-N 3.02Å; Y16-F18 PolarHBondContact O-N 2.81Å; Y16-A19 PolarHBondContact O-N 3.48Å |
| 17 | E | 44.5 | Very low | 51.4 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -28.7 | -178.7 | -160.5 | 174.9 | -172 | 0 | 0 | 111.4 | A14 | A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.27Å; A14-E17 VanDerWaalsContact O-N 3.09Å |
| 18 | F | 46 | Very low | 53.1 | Low | 177 Ų | 177 | 95.7 Ų | 95.7 | 78% | 0.776 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -104.4 | -13.6 | -175.7 | -61 | -75.7 | 0 | 0 | 0 | 115 | Y16 | Y16-F18 PolarHBondContact O-N 2.81Å |
| 19 | A | 50.5 | Low | 54.8 | Low | 72 Ų | 72 | 95 Ų | 95 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -98.8 | -5.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y16 | Y16-A19 PolarHBondContact O-N 3.48Å |
| 20 | N | 57.2 | Low | 56.4 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -81 | 121.9 | -176.7 | -75 | -24.8 | 0 | 0 | 0 | 111.2 | S22 | N20-S22 PolarHBondContact O-N 2.76Š|
| 21 | P | 64.4 | Low | 58.4 | Low | 100 Ų | 100 | 87.6 Ų | 87.6 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | trans | -60 | 129 | 174.9 | 25.1 | -32.5 | 0 | 0 | 0 | 109.3 | R23 | P21-R23 PolarHBondContact O-N 2.98Š| ||
| 22 | S | 68.7 | Low | 59.8 | Low | 66 Ų | 66 | 85.5 Ų | 85.5 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -62.2 | -25.6 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 112 | N20 E66 L67 | N20-S22 PolarHBondContact O-N 2.76Å; S22-E66 CarbonylContact O-C 3.57Å; S22-E66 VanDerWaalsContact O-CA 3.28Å; S22-E66 WeakPolarHBondContact O-CA 3.42Å; S22-L67 WeakPolarHBondContact CB-O 3.27Å; S22-L67 PolarHBondContact O-N 2.85Å |
| 23 | R | 66.3 | Low | 61.5 | Low | 160 Ų | 160 | 85.5 Ų | 85.5 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134 | 178.1 | -68 | -176.3 | -177.2 | 170.6 | 1.4 | 112.2 | P21 S65 E66 | P21-R23 PolarHBondContact O-N 2.98Å; R23-S65 VanDerWaalsContact CA-O 3.25Å; R23-S65 WeakPolarHBondContact CA-O 3.45Å; R23-E66 HydrophobicContact CG-CB 4.39Å; R23-E66 HydrophobicContact CG-CG 4.05Å; R23-E66 IonicContact CZ-OE1 3.27Å; R23-E66 VanDerWaalsContact CZ-OE1 3.31Å; R23-E66 IonicContact NE-OE1 3.97Å; R23-E66 PolarHBondContact NE-OE1 3.04Å; R23-E66 IonicContact NH2-OE1 2.75Å; R23-E66 PolarHBondContact NH2-OE1 2.81Å |
| 24 | L | 66.7 | Low | 63.2 | Low | 65 Ų | 65 | 85.8 Ų | 85.8 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.2 | 165 | -173.6 | 66.9 | 0 | 0 | 0 | 108 | E26 Q27 S65 | L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.23Å; L24-Q27 HydrophobicContact CD2-CG 3.73Å; L24-Q27 HydrophobicContact CG-CG 4.43Å; L24-S65 PolarHBondContact N-O 3Å; L24-S65 PolarHBondContact O-N 2.78Å |
| 25 | G | 59.3 | Low | 64.7 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 79% | 0.794 | 48% | 0.475 | S | S | * | . | trans | -77.7 | -9.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 26 | E | 63.9 | Low | 66.5 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 25% | 0.252 | 47% | 0.471 | S | S | . | . | trans | -153.1 | 115.7 | -174.1 | -165.6 | -173.6 | 152.1 | 0 | 0 | 111.5 | L24 F29 R52 | L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.23Å; E26-F29 WeakPolarHBondContact O-CZ 3.42Å; E26-R52 IonicContact OE1-CZ 3.73Å; E26-R52 IonicContact OE1-NE 2.84Å; E26-R52 PolarHBondContact OE1-NE 2.87Å; E26-R52 IonicContact OE1-NH2 3.2Å; E26-R52 PolarHBondContact OE1-NH2 2.87Å; E26-R52 IonicContact OE2-NE 2.65Å | ||
| 27 | Q | 69.6 | Low | 67.7 | Low | 23 Ų | 23 | 80.2 Ų | 80.2 | 11% | 0.107 | 45% | 0.447 | C | S | . | . | trans | -121.6 | 9.7 | 173.3 | -74.9 | 175.6 | 105.2 | 0 | 0 | 113.7 | L24 F29 G63 S65 | L24-Q27 HydrophobicContact CD2-CG 3.73Å; L24-Q27 HydrophobicContact CG-CG 4.43Å; Q27-F29 PolarHBondContact O-N 3.26Å; Q27-G63 PolarHBondContact NE2-O 2.81Å; Q27-S65 VanDerWaalsContact NE2-CB 3.33Å; Q27-S65 PolarHBondContact NE2-OG 3.26Å; Q27-S65 PolarHBondContact OE1-OG 2.97Å | ||
| 28 | R | 72.5 | Confident | 69.2 | Low | 35 Ų | 35 | 79.6 Ų | 79.6 | 13% | 0.132 | 45% | 0.446 | C | S | . | . | trans | -82.7 | 47.2 | -177.7 | -64 | 179.4 | -179.7 | -117 | 4.2 | 112.8 | G30 E31 R52 R55 E58 | R28-G30 PolarHBondContact O-N 2.81Å; R28-E31 HydrophobicContact CB-CB 4.24Å; R28-E31 HydrophobicContact CB-CG 4.05Å; R28-E31 WeakPolarHBondContact CD-OE2 3.31Å; R28-E31 IonicContact NH1-OE1 2.62Å; R28-E31 IonicContact NH1-OE2 2.8Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 VanDerWaalsContact NH1-OE2 3.15Å; R28-E31 PolarHBondContact O-N 3.07Å; R28-R52 PolarHBondContact O-NH2 2.86Å; R28-R55 VanDerWaalsContact NH1-NH1 3.17Å; R28-E58 IonicContact CZ-OE1 3.99Å; R28-E58 IonicContact CZ-OE2 2.66Å; R28-E58 IonicContact NE-OE2 3.59Å; R28-E58 IonicContact NH1-OE1 2.68Å; R28-E58 PolarHBondContact NH1-OE1 2.95Å; R28-E58 IonicContact NH1-OE2 3.15Å; R28-E58 PolarHBondContact NH1-OE2 2.94Å; R28-E58 IonicContact NH2-OE1 2.94Å; R28-E58 PolarHBondContact NH2-OE1 2.83Å; R28-E58 IonicContact NH2-OE2 3.95Å; R28-E58 PolarHBondContact NH2-OE2 2.92Å | ||
| 29 | F | 74.3 | Confident | 70.7 | Confident | 131 Ų | 131 | 74.9 Ų | 74.9 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 128.1 | -178.9 | -58.8 | -68.5 | 0 | 0 | 0 | 110.1 | E26 Q27 E31 R115 | E26-F29 WeakPolarHBondContact O-CZ 3.42Å; Q27-F29 PolarHBondContact O-N 3.26Å; F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.26Å; F29-R115 PolarHBondContact O-NE 3.42Å; F29-R115 VanDerWaalsContact O-NE 3.16Å |
| 30 | G | 75.9 | Confident | 72 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 7.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R28 R115 | R28-G30 PolarHBondContact O-N 2.81Å; G30-R115 PolarHBondContact O-NH2 2.97Å |
| 31 | E | 79.1 | Confident | 73 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -74.2 | 155 | 163.8 | -71.7 | -169.4 | -163.4 | 0 | 0 | 111.1 | R28 F29 L33 R55 H82 | R28-E31 HydrophobicContact CB-CB 4.24Å; R28-E31 HydrophobicContact CB-CG 4.05Å; R28-E31 WeakPolarHBondContact CD-OE2 3.31Å; R28-E31 IonicContact NH1-OE1 2.62Å; R28-E31 IonicContact NH1-OE2 2.8Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 VanDerWaalsContact NH1-OE2 3.15Å; R28-E31 PolarHBondContact O-N 3.07Å; F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.26Å; E31-L33 PolarHBondContact O-N 3.25Å; E31-R55 IonicContact OE2-CZ 3.33Å; E31-R55 IonicContact OE2-NH1 2.98Å; E31-R55 PolarHBondContact OE2-NH1 3.08Å; E31-R55 VanDerWaalsContact OE2-NH1 3.1Å; E31-H82 IonicContact OE1-CE1 2.86Å; E31-H82 PolarHBondContact OE1-CE1 3.5Å; E31-H82 IonicContact OE1-NE2 3.69Å; E31-H82 PolarHBondContact OE1-NE2 3.19Å |
| 32 | G | 73.8 | Confident | 73.5 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 19% | 0.186 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 135.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R55 H110 | G32-R55 PolarHBondContact O-NH2 3.08Å; G32-H110 WeakPolarHBondContact CA-NE2 2.97Å |
| 33 | L | 77.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 77 Ų | 77 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 128 | 173.1 | -70.8 | 173.1 | 0 | 0 | 0 | 109.6 | E31 E37 R52 | E31-L33 PolarHBondContact O-N 3.25Å; L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L33-R52 VanDerWaalsContact CD2-NH1 3.27Å |
| 34 | L | 76.4 | Confident | 73.4 | Confident | 83 Ų | 83 | 77.4 Ų | 77.4 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 143.9 | 164.9 | -61.3 | 174.9 | 0 | 0 | 0 | 109.6 | E36 E37 | L34-E36 WeakPolarHBondContact CB-OE2 3.36Å; L34-E36 PolarHBondContact O-N 3.36Å; L34-E36 VanDerWaalsContact O-N 3.13Å; L34-E37 HydrophobicContact CB-CG 4Å; L34-E37 PolarHBondContact N-OE2 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.47Å; L34-E37 PolarHBondContact O-N 3.34Å |
| 35 | P | 79.8 | Confident | 73.3 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -54.1 | -33 | 176.4 | -26.3 | 35.5 | 0 | 0 | 0 | 113 | E37 I38 | P35-E37 PolarHBondContact O-N 3.21Å; P35-I38 PolarHBondContact O-N 3.17Å |
| 36 | E | 80.7 | Confident | 73.9 | Confident | 139 Ų | 139 | 81.9 Ų | 81.9 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -70.1 | -19.8 | 179.3 | -47.8 | 82.9 | -137.2 | 0 | 0 | 113.3 | L34 I38 | L34-E36 WeakPolarHBondContact CB-OE2 3.36Å; L34-E36 PolarHBondContact O-N 3.36Å; L34-E36 VanDerWaalsContact O-N 3.13Å; E36-I38 VanDerWaalsContact C-N 3.32Å |
| 37 | E | 75.1 | Confident | 74 | Confident | 13 Ų | 13 | 87.8 Ų | 87.8 | 6% | 0.061 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -80.5 | -15.8 | 178.1 | -64.9 | 167.3 | 169.8 | 0 | 0 | 112.6 | L33 L34 P35 L39 R55 | L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L34-E37 HydrophobicContact CB-CG 4Å; L34-E37 PolarHBondContact N-OE2 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.47Å; L34-E37 PolarHBondContact O-N 3.34Å; P35-E37 PolarHBondContact O-N 3.21Å; E37-L39 PolarHBondContact O-N 2.85Å; E37-L39 VanDerWaalsContact O-N 3.16Å; E37-R55 WeakPolarHBondContact OE1-CG 3.35Å; E37-R55 IonicContact OE1-CZ 3.34Å; E37-R55 IonicContact OE1-NE 3.16Å; E37-R55 PolarHBondContact OE1-NE 2.95Å; E37-R55 IonicContact OE1-NH2 3.99Å; E37-R55 PolarHBondContact OE1-NH2 2.83Å; E37-R55 IonicContact OE2-NH2 2.82Å |
| 38 | I | 76.3 | Confident | 74.2 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -87.3 | 88.5 | -172.6 | -54.2 | 175.7 | 0 | 0 | 0 | 109.4 | P35 E36 | P35-I38 PolarHBondContact O-N 3.17Å; E36-I38 VanDerWaalsContact C-N 3.32Å |
| 39 | L | 77.4 | Confident | 73.9 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 41% | 0.408 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 161.1 | 174.3 | -56.2 | -178.4 | 0 | 0 | 0 | 112.1 | E37 R50 P51 A53 | E37-L39 PolarHBondContact O-N 2.85Å; E37-L39 VanDerWaalsContact O-N 3.16Å; L39-R50 VanDerWaalsContact O-CD 3.27Å; L39-R50 WeakPolarHBondContact O-CD 3.29Å; L39-R50 VanDerWaalsContact O-CG 3.27Å; L39-R50 WeakPolarHBondContact O-CG 3.13Å; L39-R50 PolarHBondContact O-NE 3.01Å; L39-P51 WeakPolarHBondContact CB-O 3.22Å; L39-P51 HydrophobicContact CD1-CB 4.44Å; L39-A53 HydrophobicContact CD1-CB 4.46Å; L39-A53 HydrophobicContact CD2-CB 4.48Å |
| 40 | T | 77.6 | Confident | 73.8 | Confident | 125 Ų | 125 | 96.5 Ų | 96.5 | 77% | 0.767 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 124.5 | 173.9 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 41 | P | 78.5 | Confident | 73.3 | Confident | 37 Ų | 37 | 97.4 Ų | 97.4 | 24% | 0.24 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 143.7 | -179.6 | 31.1 | -35.5 | 0 | 0 | 0 | 110.3 | Y48 V49 R50 | P41-Y48 HydrophobicContact CB-CD1 3.89Å; P41-Y48 HydrophobicContact CB-CG 4.34Å; P41-Y48 HydrophobicContact CG-CD1 4.11Å; P41-V49 WeakPolarHBondContact CA-O 3.33Å; P41-R50 HydrophobicContact CB-CB 4.17Å |
| 42 | T | 74.8 | Confident | 72.9 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.4 | 171.9 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | Y44 V49 | T42-Y44 PolarHBondContact O-N 2.85Å; T42-V49 PolarHBondContact N-O 3.34Å; T42-V49 PolarHBondContact O-N 2.97Å |
| 43 | L | 69.8 | Low | 72.5 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 114.3 | 175.2 | -171.4 | 73.5 | 0 | 0 | 0 | 109.3 | Y48 | L43-Y48 HydrophobicContact CB-CD1 4.42Å; L43-Y48 HydrophobicContact CB-CE1 4.27Å; L43-Y48 HydrophobicContact CD1-CD1 4.08Å; L43-Y48 HydrophobicContact CD1-CD2 4.48Å; L43-Y48 HydrophobicContact CD1-CE1 3.94Å; L43-Y48 HydrophobicContact CD1-CE2 4.35Å; L43-Y48 HydrophobicContact CD1-CG 4.36Å |
| 44 | Y | 63.3 | Low | 71.7 | Confident | 169 Ų | 169 | 98.9 Ų | 98.9 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.5 | 176.8 | -176.5 | -101 | 0 | 0 | 0 | 109.9 | T42 G46 Y47 | T42-Y44 PolarHBondContact O-N 2.85Å; Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; Y44-Y47 PolarHBondContact N-O 2.93Å; Y44-Y47 PolarHBondContact O-N 2.9Å |
| 45 | H | 63.8 | Low | 70.9 | Confident | 173 Ų | 173 | 98.2 Ų | 98.2 | 80% | 0.801 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 39.7 | 178.1 | -139.1 | 73.4 | 0 | 0 | 0 | 114.7 | Y47 | H45-Y47 WeakPolarHBondContact O-CD2 3.25Å; H45-Y47 WeakPolarHBondContact O-CE2 3.14Å |
| 46 | G | 71.5 | Confident | 69.5 | Low | 64 Ų | 64 | 98.8 Ų | 98.8 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -1.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y44 | Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.12Å |
| 47 | Y | 67 | Low | 68.2 | Low | 177 Ų | 177 | 96.2 Ų | 96.2 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.6 | 178.9 | -57.7 | -83.7 | 0 | 0 | 0 | 110.9 | Y44 H45 V49 | Y44-Y47 PolarHBondContact N-O 2.93Å; Y44-Y47 PolarHBondContact O-N 2.9Å; H45-Y47 WeakPolarHBondContact O-CD2 3.25Å; H45-Y47 WeakPolarHBondContact O-CE2 3.14Å; Y47-V49 PolarHBondContact O-N 3.2Å |
| 48 | Y | 72.8 | Confident | 67.2 | Low | 177 Ų | 177 | 98.7 Ų | 98.7 | 69% | 0.694 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 111.4 | 169.8 | -73.8 | -69.2 | 0 | 0 | 0 | 109.2 | P41 L43 | P41-Y48 HydrophobicContact CB-CD1 3.89Å; P41-Y48 HydrophobicContact CB-CG 4.34Å; P41-Y48 HydrophobicContact CG-CD1 4.11Å; L43-Y48 HydrophobicContact CB-CD1 4.42Å; L43-Y48 HydrophobicContact CB-CE1 4.27Å; L43-Y48 HydrophobicContact CD1-CD1 4.08Å; L43-Y48 HydrophobicContact CD1-CD2 4.48Å; L43-Y48 HydrophobicContact CD1-CE1 3.94Å; L43-Y48 HydrophobicContact CD1-CE2 4.35Å; L43-Y48 HydrophobicContact CD1-CG 4.36Å |
| 49 | V | 67.6 | Low | 66 | Low | 71 Ų | 71 | 97.2 Ų | 97.2 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.6 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | P41 T42 Y47 P51 | P41-V49 WeakPolarHBondContact CA-O 3.33Å; T42-V49 PolarHBondContact N-O 3.34Å; T42-V49 PolarHBondContact O-N 2.97Å; Y47-V49 PolarHBondContact O-N 3.2Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å |
| 50 | R | 70.9 | Confident | 64.8 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | trans | -116.4 | 96.2 | 176.9 | -175.3 | 176.3 | -78.6 | 137.9 | -5 | 108.9 | L39 P41 | L39-R50 VanDerWaalsContact O-CD 3.27Å; L39-R50 WeakPolarHBondContact O-CD 3.29Å; L39-R50 VanDerWaalsContact O-CG 3.27Å; L39-R50 WeakPolarHBondContact O-CG 3.13Å; L39-R50 PolarHBondContact O-NE 3.01Å; P41-R50 HydrophobicContact CB-CB 4.17Å | ||
| 51 | P | 67 | Low | 63.5 | Low | 68 Ų | 68 | 102.7 Ų | 102.7 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 138.6 | 170.4 | -17.5 | 30.2 | 0 | 0 | 0 | 109.6 | L39 V49 | L39-P51 WeakPolarHBondContact CB-O 3.22Å; L39-P51 HydrophobicContact CD1-CB 4.44Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å |
| 52 | R | 69.2 | Low | 62.4 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 25% | 0.245 | 58% | 0.584 | C | S | . | * | B | Isolated β-bridge | trans | -86 | 144 | 163.8 | -65.8 | -164.6 | -161.4 | 173.6 | 12.9 | 109.7 | E26 R28 L33 | E26-R52 IonicContact OE1-CZ 3.73Å; E26-R52 IonicContact OE1-NE 2.84Å; E26-R52 PolarHBondContact OE1-NE 2.87Å; E26-R52 IonicContact OE1-NH2 3.2Å; E26-R52 PolarHBondContact OE1-NH2 2.87Å; E26-R52 IonicContact OE2-NE 2.65Å; R28-R52 PolarHBondContact O-NH2 2.86Å; L33-R52 VanDerWaalsContact CD2-NH1 3.27Å |
| 53 | A | 65.3 | Low | 61.6 | Low | 42 Ų | 42 | 98.9 Ų | 98.9 | 35% | 0.347 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 135.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L39 R55 | L39-A53 HydrophobicContact CD1-CB 4.46Å; L39-A53 HydrophobicContact CD2-CB 4.48Å; A53-R55 PolarHBondContact O-N 2.99Å |
| 54 | A | 61.3 | Low | 61.2 | Low | 85 Ų | 85 | 95.4 Ų | 95.4 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 130.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A56 | A54-A56 PolarHBondContact O-N 3Š|
| 55 | R | 59.2 | Low | 61.8 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 26% | 0.257 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.6 | 175.5 | -63.2 | -172.2 | 168.6 | 128.7 | 9.4 | 108.5 | R28 E31 G32 E37 A53 G57 E58 | R28-R55 VanDerWaalsContact NH1-NH1 3.17Å; E31-R55 IonicContact OE2-CZ 3.33Å; E31-R55 IonicContact OE2-NH1 2.98Å; E31-R55 PolarHBondContact OE2-NH1 3.08Å; E31-R55 VanDerWaalsContact OE2-NH1 3.1Å; G32-R55 PolarHBondContact O-NH2 3.08Å; E37-R55 WeakPolarHBondContact OE1-CG 3.35Å; E37-R55 IonicContact OE1-CZ 3.34Å; E37-R55 IonicContact OE1-NE 3.16Å; E37-R55 PolarHBondContact OE1-NE 2.95Å; E37-R55 IonicContact OE1-NH2 3.99Å; E37-R55 PolarHBondContact OE1-NH2 2.83Å; E37-R55 IonicContact OE2-NH2 2.82Å; A53-R55 PolarHBondContact O-N 2.99Å; R55-G57 PolarHBondContact O-N 2.82Å; R55-G57 VanDerWaalsContact O-N 3.11Å; R55-E58 HydrophobicContact CB-CB 4.25Å; R55-E58 HydrophobicContact CB-CG 4.15Å; R55-E58 VanDerWaalsContact CB-OE2 3.22Å; R55-E58 WeakPolarHBondContact CB-OE2 3.14Å; R55-E58 VanDerWaalsContact CD-OE2 3.24Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 VanDerWaalsContact CG-OE2 3.28Å; R55-E58 WeakPolarHBondContact CG-OE2 3.4Å; R55-E58 IonicContact NH1-OE1 2.95Å; R55-E58 PolarHBondContact O-N 2.7Å; R55-E58 VanDerWaalsContact O-N 3.11Å |
| 56 | A | 51.3 | Low | 62.8 | Low | 110 Ų | 110 | 80.7 Ų | 80.7 | 91% | 0.909 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 119 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A54 | A54-A56 PolarHBondContact O-N 3Š|
| 57 | G | 52.6 | Low | 63.4 | Low | 85 Ų | 85 | 79 Ų | 79 | 88% | 0.876 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.7 | -23.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R55 G59 | R55-G57 PolarHBondContact O-N 2.82Å; R55-G57 VanDerWaalsContact O-N 3.11Å; G57-G59 PolarHBondContact O-N 3.04Å |
| 58 | E | 54.6 | Low | 64.3 | Low | 66 Ų | 66 | 76 Ų | 76 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -83.5 | 108.7 | 166.7 | -69.3 | 174.5 | 157.9 | 0 | 0 | 106.7 | R28 R55 A62 | R28-E58 IonicContact CZ-OE1 3.99Å; R28-E58 IonicContact CZ-OE2 2.66Å; R28-E58 IonicContact NE-OE2 3.59Å; R28-E58 IonicContact NH1-OE1 2.68Å; R28-E58 PolarHBondContact NH1-OE1 2.95Å; R28-E58 IonicContact NH1-OE2 3.15Å; R28-E58 PolarHBondContact NH1-OE2 2.94Å; R28-E58 IonicContact NH2-OE1 2.94Å; R28-E58 PolarHBondContact NH2-OE1 2.83Å; R28-E58 IonicContact NH2-OE2 3.95Å; R28-E58 PolarHBondContact NH2-OE2 2.92Å; R55-E58 HydrophobicContact CB-CB 4.25Å; R55-E58 HydrophobicContact CB-CG 4.15Å; R55-E58 VanDerWaalsContact CB-OE2 3.22Å; R55-E58 WeakPolarHBondContact CB-OE2 3.14Å; R55-E58 VanDerWaalsContact CD-OE2 3.24Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 VanDerWaalsContact CG-OE2 3.28Å; R55-E58 WeakPolarHBondContact CG-OE2 3.4Å; R55-E58 IonicContact NH1-OE1 2.95Å; R55-E58 PolarHBondContact O-N 2.7Å; R55-E58 VanDerWaalsContact O-N 3.11Å; E58-A62 HydrophobicContact CB-CB 3.91Å |
| 59 | G | 50.2 | Low | 64.8 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | trans | -52.3 | 158.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G57 R61 A62 | G57-G59 PolarHBondContact O-N 3.04Å; G59-R61 PolarHBondContact O-N 3.19Å; G59-A62 PolarHBondContact O-N 2.86Å | ||
| 60 | A | 52.4 | Low | 65.5 | Low | 106 Ų | 106 | 70.9 Ų | 70.9 | 88% | 0.876 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 61 | R | 51 | Low | 65.7 | Low | 211 Ų | 211 | 74.1 Ų | 74.1 | 80% | 0.796 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -18.9 | 178.7 | -65.1 | -177.9 | 175.8 | 168.5 | -0.2 | 114.2 | G59 G63 A64 | G59-R61 PolarHBondContact O-N 3.19Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-G63 VanDerWaalsContact O-N 3.15Å; R61-A64 PolarHBondContact O-N 2.84Å; R61-A64 VanDerWaalsContact O-N 3.08Å |
| 62 | A | 54 | Low | 66.5 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 112.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E58 G59 | E58-A62 HydrophobicContact CB-CB 3.91Å; G59-A62 PolarHBondContact O-N 2.86Å |
| 63 | G | 58 | Low | 67.5 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 3% | 0.031 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -1.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q27 R61 D79 | Q27-G63 PolarHBondContact NE2-O 2.81Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-G63 VanDerWaalsContact O-N 3.15Å; G63-D79 WeakPolarHBondContact CA-OD2 3.36Å; G63-D79 PolarHBondContact N-OD2 2.79Å |
| 64 | A | 63.4 | Low | 68.8 | Low | 36 Ų | 36 | 71.6 Ų | 71.6 | 30% | 0.298 | 44% | 0.443 | S | S | . | . | trans | -92.3 | 112 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R61 | R61-A64 PolarHBondContact O-N 2.84Å; R61-A64 VanDerWaalsContact O-N 3.08Å | ||
| 65 | S | 75.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.9 | 165.1 | -84.1 | 0 | 0 | 0 | 0 | 110.7 | R23 L24 Q27 F77 L78 R119 | R23-S65 VanDerWaalsContact CA-O 3.25Å; R23-S65 WeakPolarHBondContact CA-O 3.45Å; L24-S65 PolarHBondContact N-O 3Å; L24-S65 PolarHBondContact O-N 2.78Å; Q27-S65 VanDerWaalsContact NE2-CB 3.33Å; Q27-S65 PolarHBondContact NE2-OG 3.26Å; Q27-S65 PolarHBondContact OE1-OG 2.97Å; S65-F77 CarbonylContact C-O 3.59Å; S65-F77 WeakPolarHBondContact CA-O 3.39Å; S65-F77 WeakPolarHBondContact CB-O 3.49Å; S65-F77 PolarHBondContact OG-O 3.17Å; S65-L78 WeakPolarHBondContact OG-CA 3.13Å; S65-L78 WeakPolarHBondContact OG-CD2 3.42Å; S65-R119 PolarHBondContact OG-NH1 2.76Å |
| 66 | E | 84.1 | Confident | 71.8 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.9 | 177.8 | -169.2 | 171.5 | -139.1 | 0 | 0 | 110.9 | S22 R23 R68 A76 F77 | S22-E66 CarbonylContact O-C 3.57Å; S22-E66 VanDerWaalsContact O-CA 3.28Å; S22-E66 WeakPolarHBondContact O-CA 3.42Å; R23-E66 HydrophobicContact CG-CB 4.39Å; R23-E66 HydrophobicContact CG-CG 4.05Å; R23-E66 IonicContact CZ-OE1 3.27Å; R23-E66 VanDerWaalsContact CZ-OE1 3.31Å; R23-E66 IonicContact NE-OE1 3.97Å; R23-E66 PolarHBondContact NE-OE1 3.04Å; R23-E66 IonicContact NH2-OE1 2.75Å; R23-E66 PolarHBondContact NH2-OE1 2.81Å; E66-R68 HydrophobicContact CG-CG 3.96Å; E66-R68 IonicContact OE1-NE 3.04Å; E66-R68 IonicContact OE2-CZ 3.9Å; E66-R68 IonicContact OE2-NE 3.61Å; E66-R68 PolarHBondContact OE2-NE 2.78Å; E66-R68 IonicContact OE2-NH2 3.45Å; E66-R68 PolarHBondContact OE2-NH2 2.76Å; E66-A76 CarbonylContact O-C 3.55Å; E66-A76 WeakPolarHBondContact O-CA 3.42Å; E66-F77 HydrophobicContact CB-CD2 4.39Å; E66-F77 PolarHBondContact N-O 3.41Å; E66-F77 VanDerWaalsContact N-O 3.16Å; E66-F77 PolarHBondContact O-N 2.61Å |
| 67 | L | 85.2 | Confident | 73.7 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.8 | 168.6 | 179.6 | 69.3 | 0 | 0 | 0 | 108.1 | S22 F74 A76 Y121 | S22-L67 WeakPolarHBondContact CB-O 3.27Å; S22-L67 PolarHBondContact O-N 2.85Å; L67-F74 HydrophobicContact CD1-CD2 4.27Å; L67-F74 HydrophobicContact CD1-CE2 3.48Å; L67-F74 VanDerWaalsContact CD1-CE2 3.48Å; L67-F74 HydrophobicContact CD1-CZ 3.7Å; L67-A76 HydrophobicContact CD1-CB 4.03Å; L67-Y121 HydrophobicContact CD1-CD1 4.24Å; L67-Y121 HydrophobicContact CD1-CE1 4.38Å |
| 68 | R | 85.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 58 Ų | 58 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.1 | 177.5 | -59.5 | -176 | -177.4 | 174.9 | -0.3 | 109.1 | E66 Q75 | E66-R68 HydrophobicContact CG-CG 3.96Å; E66-R68 IonicContact OE1-NE 3.04Å; E66-R68 IonicContact OE2-CZ 3.9Å; E66-R68 IonicContact OE2-NE 3.61Å; E66-R68 PolarHBondContact OE2-NE 2.78Å; E66-R68 IonicContact OE2-NH2 3.45Å; E66-R68 PolarHBondContact OE2-NH2 2.76Å; R68-Q75 HydrophobicContact CB-CB 4.33Å; R68-Q75 PolarHBondContact N-O 2.68Å; R68-Q75 PolarHBondContact O-N 2.73Å |
| 69 | L | 82.6 | Confident | 77.2 | Confident | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 109.4 | 171.1 | -59.6 | 177.1 | 0 | 0 | 0 | 107.5 | F74 P124 | L69-F74 HydrophobicContact CD2-CD2 3.5Å; L69-F74 HydrophobicContact CD2-CE2 4.1Å; L69-F74 HydrophobicContact CD2-CG 4.45Å; L69-P124 HydrophobicContact CD2-CG 3.95Å |
| 70 | S | 82.3 | Confident | 79.1 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -111.5 | 166.8 | 174.2 | 67.3 | 0 | 0 | 0 | 0 | 109.9 | G72 K73 R148 | S70-G72 PolarHBondContact O-N 2.82Å; S70-K73 PolarHBondContact N-O 2.82Å; S70-K73 VanDerWaalsContact N-O 3.08Å; S70-K73 VanDerWaalsContact OG-CG 3.25Å; S70-K73 WeakPolarHBondContact OG-CG 3.46Å; S70-K73 PolarHBondContact OG-N 2.68Å; S70-K73 PolarHBondContact OG-O 2.91Å; S70-R148 WeakPolarHBondContact O-CD 3.41Å; S70-R148 PolarHBondContact O-NH1 2.47Å | ||
| 71 | E | 76.1 | Confident | 80.9 | Confident | 193 Ų | 193 | 51.1 Ų | 51.1 | 90% | 0.902 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -60.5 | -31.5 | -178.8 | -66.9 | -177.4 | 174.8 | 0 | 0 | 113.2 | ||
| 72 | G | 84.3 | Confident | 82.8 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -102.9 | -17 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S70 R148 | S70-G72 PolarHBondContact O-N 2.82Å; G72-R148 PolarHBondContact O-N 2.66Å |
| 73 | K | 89.8 | Confident | 84.6 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 30% | 0.3 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 148.3 | -176.4 | 63.3 | 175.9 | -173.9 | 173.9 | 0 | 114.2 | S70 E145 A146 | S70-K73 PolarHBondContact N-O 2.82Å; S70-K73 VanDerWaalsContact N-O 3.08Å; S70-K73 VanDerWaalsContact OG-CG 3.25Å; S70-K73 WeakPolarHBondContact OG-CG 3.46Å; S70-K73 PolarHBondContact OG-N 2.68Å; S70-K73 PolarHBondContact OG-O 2.91Å; K73-E145 HydrophobicContact CD-CG 4.26Å; K73-E145 IonicContact NZ-OE1 2.59Å; K73-E145 IonicContact NZ-OE2 2.68Å; K73-E145 PolarHBondContact NZ-OE2 3.36Å; K73-A146 CarbonylContact C-O 3.58Å; K73-A146 WeakPolarHBondContact CA-O 3.28Å |
| 74 | F | 91.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.2 | 162.3 | 170.5 | -86.3 | 0 | 0 | 0 | 108.6 | L67 L69 A76 L97 L123 P124 V127 E145 A146 | L67-F74 HydrophobicContact CD1-CD2 4.27Å; L67-F74 HydrophobicContact CD1-CE2 3.48Å; L67-F74 VanDerWaalsContact CD1-CE2 3.48Å; L67-F74 HydrophobicContact CD1-CZ 3.7Å; L69-F74 HydrophobicContact CD2-CD2 3.5Å; L69-F74 HydrophobicContact CD2-CE2 4.1Å; L69-F74 HydrophobicContact CD2-CG 4.45Å; F74-A76 HydrophobicContact CE1-CB 4.24Å; F74-A76 HydrophobicContact CZ-CB 4.26Å; F74-L97 HydrophobicContact CE1-CD2 3.75Å; F74-L97 HydrophobicContact CZ-CD2 4.18Å; F74-L123 HydrophobicContact CD1-CD2 4.17Å; F74-L123 HydrophobicContact CD2-CD2 4.42Å; F74-L123 HydrophobicContact CE1-CD2 3.93Å; F74-L123 HydrophobicContact CE2-CD2 4.17Å; F74-L123 HydrophobicContact CG-CD2 4.42Å; F74-L123 HydrophobicContact CZ-CD2 3.94Å; F74-P124 HydrophobicContact CD2-CG 4.14Å; F74-V127 HydrophobicContact CB-CG2 3.83Å; F74-E145 WeakPolarHBondContact O-CA 3.24Å; F74-A146 HydrophobicContact CB-CB 4.43Å; F74-A146 HydrophobicContact CD1-CB 4.43Å; F74-A146 PolarHBondContact N-O 2.68Å; F74-A146 PolarHBondContact O-N 3.49Å |
| 75 | Q | 93 | Very high | 87.7 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.5 | 175.1 | -175.2 | 169 | 47.8 | 0 | 0 | 111.4 | R68 F77 N143 L144 | R68-Q75 HydrophobicContact CB-CB 4.33Å; R68-Q75 PolarHBondContact N-O 2.68Å; R68-Q75 PolarHBondContact O-N 2.73Å; Q75-F77 HydrophobicContact CG-CD2 4.23Å; Q75-F77 HydrophobicContact CG-CE2 3.57Å; Q75-F77 HydrophobicContact CG-CZ 3.84Å; Q75-N143 PolarHBondContact NE2-OD1 2.83Å; Q75-L144 CarbonylContact C-O 3.52Å; Q75-L144 WeakPolarHBondContact CA-O 3.49Å |
| 76 | A | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E66 L67 F74 Y121 L144 | E66-A76 CarbonylContact O-C 3.55Å; E66-A76 WeakPolarHBondContact O-CA 3.42Å; L67-A76 HydrophobicContact CD1-CB 4.03Å; F74-A76 HydrophobicContact CE1-CB 4.24Å; F74-A76 HydrophobicContact CZ-CB 4.26Å; A76-Y121 HydrophobicContact CB-CE1 4.39Å; A76-Y121 HydrophobicContact CB-CE2 4.35Å; A76-L144 HydrophobicContact CB-CB 4.25Å; A76-L144 HydrophobicContact CB-CD1 4.41Å; A76-L144 PolarHBondContact N-O 3.42Å; A76-L144 PolarHBondContact O-N 3.33Å |
| 77 | F | 91.1 | Very high | 89.3 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.5 | 173.8 | -63.2 | -85.1 | 0 | 0 | 0 | 109.5 | S65 E66 Q75 I141 L142 N143 | S65-F77 CarbonylContact C-O 3.59Å; S65-F77 WeakPolarHBondContact CA-O 3.39Å; S65-F77 WeakPolarHBondContact CB-O 3.49Å; S65-F77 PolarHBondContact OG-O 3.17Å; E66-F77 HydrophobicContact CB-CD2 4.39Å; E66-F77 PolarHBondContact N-O 3.41Å; E66-F77 VanDerWaalsContact N-O 3.16Å; E66-F77 PolarHBondContact O-N 2.61Å; Q75-F77 HydrophobicContact CG-CD2 4.23Å; Q75-F77 HydrophobicContact CG-CE2 3.57Å; Q75-F77 HydrophobicContact CG-CZ 3.84Å; F77-I141 HydrophobicContact CB-CG2 4.32Å; F77-I141 HydrophobicContact CD1-CG2 4.12Å; F77-L142 CarbonylContact C-O 3.48Å; F77-L142 WeakPolarHBondContact CA-O 3.41Å; F77-N143 HydrophobicContact CD1-CB 4.13Å; F77-N143 HydrophobicContact CE1-CB 4.01Å |
| 78 | L | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.2 | 179.9 | -73.2 | 179.1 | 0 | 0 | 0 | 110.4 | S65 V80 V99 Y121 I141 L142 L144 | S65-L78 WeakPolarHBondContact OG-CA 3.13Å; S65-L78 WeakPolarHBondContact OG-CD2 3.42Å; L78-V80 HydrophobicContact CB-CG1 4.25Å; L78-V80 PolarHBondContact O-N 3.36Å; L78-V99 HydrophobicContact CD1-CB 3.91Å; L78-V99 HydrophobicContact CD1-CG1 3.8Å; L78-V99 HydrophobicContact CD1-CG2 3.69Å; L78-Y121 HydrophobicContact CD1-CE2 4.14Å; L78-Y121 HydrophobicContact CD2-CE2 4.39Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y121 HydrophobicContact CG-CE2 4.47Å; L78-I141 CarbonylContact O-C 3.45Å; L78-I141 WeakPolarHBondContact O-CA 3.34Å; L78-L142 HydrophobicContact CB-CB 4.13Å; L78-L142 HydrophobicContact CD1-CD2 4.19Å; L78-L142 PolarHBondContact N-O 2.88Å; L78-L142 PolarHBondContact O-N 3.12Å; L78-L144 HydrophobicContact CD1-CD1 4.01Å |
| 79 | D | 88.9 | Confident | 90.4 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 114 | 169.1 | -170.7 | -24.6 | 0 | 0 | 0 | 107.8 | G63 S81 I141 | G63-D79 WeakPolarHBondContact CA-OD2 3.36Å; G63-D79 PolarHBondContact N-OD2 2.79Å; D79-S81 WeakPolarHBondContact OD1-CB 2.93Å; D79-S81 PolarHBondContact OD1-N 2.81Å; D79-S81 PolarHBondContact OD1-OG 2.94Å; D79-I141 HydrophobicContact CB-CD1 4.16Å |
| 80 | V | 91.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | trans | -123.7 | 23.8 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | L78 H82 F83 V88 F117 L136 G140 L142 | L78-V80 HydrophobicContact CB-CG1 4.25Å; L78-V80 PolarHBondContact O-N 3.36Å; V80-H82 PolarHBondContact O-N 2.82Å; V80-F83 HydrophobicContact CB-CD2 4.27Å; V80-F83 PolarHBondContact O-N 3.09Å; V80-V88 HydrophobicContact CB-CG2 4.2Å; V80-V88 HydrophobicContact CG2-CG2 4.26Å; V80-F117 HydrophobicContact CG1-CE1 3.85Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; V80-L136 HydrophobicContact CG2-CD1 3.5Å; V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.26Å; V80-G140 WeakPolarHBondContact CG2-O 3.39Å; V80-G140 PolarHBondContact N-O 3.33Å; V80-L142 HydrophobicContact CG1-CB 4.34Å; V80-L142 HydrophobicContact CG2-CB 3.9Å | ||
| 81 | S | 89.6 | Confident | 91.7 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.2 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 114.9 | D79 G140 | D79-S81 WeakPolarHBondContact OD1-CB 2.93Å; D79-S81 PolarHBondContact OD1-N 2.81Å; D79-S81 PolarHBondContact OD1-OG 2.94Å; S81-G140 PolarHBondContact N-O 3.11Å |
| 82 | H | 89.7 | Confident | 92.5 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.5 | 174.8 | -56.7 | -43.8 | 0 | 0 | 0 | 114.5 | E31 V80 H103 | E31-H82 IonicContact OE1-CE1 2.86Å; E31-H82 PolarHBondContact OE1-CE1 3.5Å; E31-H82 IonicContact OE1-NE2 3.69Å; E31-H82 PolarHBondContact OE1-NE2 3.19Å; V80-H82 PolarHBondContact O-N 2.82Å; H82-H103 PolarHBondContact O-CD2 2.81Å; H82-H103 VanDerWaalsContact O-CD2 3.24Å |
| 83 | F | 92.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -119.4 | 143.8 | -176.6 | -58.5 | -85.4 | 0 | 0 | 0 | 110.1 | V80 E87 V88 A101 H103 R115 F117 | V80-F83 HydrophobicContact CB-CD2 4.27Å; V80-F83 PolarHBondContact O-N 3.09Å; F83-E87 HydrophobicContact CB-CB 4.15Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; F83-V88 HydrophobicContact CB-CG2 3.76Å; F83-A101 HydrophobicContact CB-CB 4.24Å; F83-A101 HydrophobicContact CD1-CB 3.55Å; F83-A101 HydrophobicContact CD2-CB 3.84Å; F83-A101 HydrophobicContact CE1-CB 3.76Å; F83-A101 HydrophobicContact CE2-CB 4.05Å; F83-A101 HydrophobicContact CG-CB 3.59Å; F83-A101 HydrophobicContact CZ-CB 4Å; F83-H103 HydrophobicContact CD1-CB 4.28Å; F83-H103 AromaticContact CD1-CD2 3.77Å; F83-H103 AromaticContact CE1-CD2 3.68Å; F83-R115 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CZ-CB 3.63Å; F83-F117 HydrophobicContact CD2-CD1 4.32Å; F83-F117 HydrophobicContact CD2-CE1 4.03Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 VanDerWaalsContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 AromaticContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CE1 4.2Å |
| 84 | T | 92.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | trans | -76.8 | 158.2 | 167.6 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | D86 E87 | T84-D86 WeakPolarHBondContact CB-OD1 3.31Å; T84-D86 PolarHBondContact O-N 3.5Å; T84-D86 VanDerWaalsContact O-N 3.17Å; T84-D86 VanDerWaalsContact OG1-CG 3.3Å; T84-D86 PolarHBondContact OG1-OD1 2.78Å; T84-D86 PolarHBondContact OG1-OD2 2.96Å; T84-E87 PolarHBondContact N-OE2 2.93Å; T84-E87 WeakPolarHBondContact O-CA 3.15Å; T84-E87 WeakPolarHBondContact O-CB 3.3Å; T84-E87 PolarHBondContact O-N 3.25Å; T84-E87 VanDerWaalsContact OG1-CG 3.24Å; T84-E87 WeakPolarHBondContact OG1-CG 3.12Å; T84-E87 PolarHBondContact OG1-OE2 3.23Å; T84-E87 VanDerWaalsContact OG1-OE2 3.14Å | ||
| 85 | P | 94.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -58.1 | -32.8 | -176.8 | -25.1 | 33.2 | 0 | 0 | 0 | 114.5 | E87 V88 L136 L164 | P85-E87 PolarHBondContact O-N 3Å; P85-V88 PolarHBondContact O-N 2.99Å; P85-L136 HydrophobicContact CB-CD2 3.8Å; P85-L136 HydrophobicContact CG-CD2 3.73Å; P85-L164 HydrophobicContact CB-CD2 3.64Å; P85-L164 HydrophobicContact CG-CD1 4.36Å; P85-L164 HydrophobicContact CG-CD2 3.62Å |
| 86 | D | 95.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 40.1 Ų | 40.1 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -70.7 | -16.1 | 175.5 | 57.7 | -62.8 | 0 | 0 | 0 | 113.6 | T84 | T84-D86 WeakPolarHBondContact CB-OD1 3.31Å; T84-D86 PolarHBondContact O-N 3.5Å; T84-D86 VanDerWaalsContact O-N 3.17Å; T84-D86 VanDerWaalsContact OG1-CG 3.3Å; T84-D86 PolarHBondContact OG1-OD1 2.78Å; T84-D86 PolarHBondContact OG1-OD2 2.96Å |
| 87 | E | 96.2 | Very high | 92.1 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -90.9 | -6.2 | 177.1 | -68.8 | 176.8 | 145 | 0 | 0 | 113 | F83 T84 P85 A101 R102 H103 R106 | F83-E87 HydrophobicContact CB-CB 4.15Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; T84-E87 PolarHBondContact N-OE2 2.93Å; T84-E87 WeakPolarHBondContact O-CA 3.15Å; T84-E87 WeakPolarHBondContact O-CB 3.3Å; T84-E87 PolarHBondContact O-N 3.25Å; T84-E87 VanDerWaalsContact OG1-CG 3.24Å; T84-E87 WeakPolarHBondContact OG1-CG 3.12Å; T84-E87 PolarHBondContact OG1-OE2 3.23Å; T84-E87 VanDerWaalsContact OG1-OE2 3.14Å; P85-E87 PolarHBondContact O-N 3Å; E87-A101 WeakPolarHBondContact O-CA 3.04Å; E87-A101 WeakPolarHBondContact O-CB 3.48Å; E87-R102 WeakPolarHBondContact CB-O 3.29Å; E87-R102 PolarHBondContact O-N 2.9Å; E87-R102 VanDerWaalsContact O-N 3.11Å; E87-H103 HydrophobicContact CG-CB 4.48Å; E87-H103 WeakPolarHBondContact OE1-CA 3.4Å; E87-H103 WeakPolarHBondContact OE1-CB 3.37Å; E87-H103 WeakPolarHBondContact OE2-CB 3.47Å; E87-R106 IonicContact OE1-CZ 3.15Å; E87-R106 IonicContact OE1-NE 3.85Å; E87-R106 IonicContact OE1-NH1 3.1Å; E87-R106 PolarHBondContact OE1-NH1 2.84Å; E87-R106 IonicContact OE1-NH2 3.96Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.63Å; E87-R106 VanDerWaalsContact OE2-CZ 3.27Å; E87-R106 IonicContact OE2-NH1 3.49Å; E87-R106 PolarHBondContact OE2-NH1 3.16Å; E87-R106 IonicContact OE2-NH2 2.87Å; E87-R106 PolarHBondContact OE2-NH2 2.63Å; E87-R106 VanDerWaalsContact OE2-NH2 3.1Å |
| 88 | V | 97.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.4 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | V80 F83 P85 V99 S100 A101 L142 I162 | V80-V88 HydrophobicContact CB-CG2 4.2Å; V80-V88 HydrophobicContact CG2-CG2 4.26Å; F83-V88 HydrophobicContact CB-CG2 3.76Å; P85-V88 PolarHBondContact O-N 2.99Å; V88-V99 HydrophobicContact CG1-CG1 4.18Å; V88-S100 CarbonylContact C-O 3.56Å; V88-S100 WeakPolarHBondContact CA-O 3.39Å; V88-A101 HydrophobicContact CB-CB 4.38Å; V88-A101 HydrophobicContact CG1-CB 4.49Å; V88-A101 HydrophobicContact CG2-CB 3.9Å; V88-L142 HydrophobicContact CG1-CD2 4.07Å; V88-I162 HydrophobicContact CB-CD1 3.87Å; V88-I162 HydrophobicContact CG1-CD1 3.73Å; V88-I162 WeakPolarHBondContact O-CD1 3.41Å |
| 89 | T | 97.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.1 | 176.2 | -57 | 0 | 0 | 0 | 0 | 109.5 | V99 S100 | T89-V99 WeakPolarHBondContact O-CA 3.35Å; T89-S100 PolarHBondContact N-O 3.01Å; T89-S100 PolarHBondContact O-N 2.74Å |
| 90 | V | 97.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.9 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | L97 E98 V99 A134 L142 L144 V160 I162 | V90-L97 HydrophobicContact CG1-CD1 3.58Å; V90-E98 WeakPolarHBondContact CA-O 3.29Å; V90-V99 HydrophobicContact CG2-CG1 4.39Å; V90-V99 HydrophobicContact CG2-CG2 4.34Å; V90-A134 HydrophobicContact CG2-CB 4.28Å; V90-L142 HydrophobicContact CG2-CD2 3.97Å; V90-L144 HydrophobicContact CG1-CD2 3.83Å; V90-L144 HydrophobicContact CG2-CD2 4.05Å; V90-V160 HydrophobicContact CB-CB 4.07Å; V90-V160 HydrophobicContact CG1-CB 3.83Å; V90-V160 HydrophobicContact CG1-CG1 4.32Å; V90-V160 HydrophobicContact CG1-CG2 4.22Å; V90-V160 PolarHBondContact O-N 2.82Å; V90-I162 HydrophobicContact CG2-CD1 3.99Å; V90-I162 HydrophobicContact CG2-CG1 4.08Å |
| 91 | R | 95.4 | Very high | 93 | Very high | 108 Ų | 108 | 41 Ų | 41 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 154.4 | 174.1 | 67.6 | 179.2 | -177.1 | 172.2 | 2.6 | 110.9 | V93 E98 N158 | R91-V93 HydrophobicContact CG-CG2 4.39Å; R91-E98 HydrophobicContact CG-CB 3.97Å; R91-E98 IonicContact CZ-OE2 3.1Å; R91-E98 PolarHBondContact N-O 2.96Å; R91-E98 IonicContact NE-OE2 3.18Å; R91-E98 PolarHBondContact NE-OE2 3.25Å; R91-E98 IonicContact NH2-OE2 3.3Å; R91-E98 PolarHBondContact NH2-OE2 2.66Å; R91-E98 PolarHBondContact O-N 3.35Å; R91-N158 CarbonylContact C-O 3.59Å; R91-N158 VanDerWaalsContact CA-O 3.31Å; R91-N158 WeakPolarHBondContact CA-O 3.46Å |
| 92 | T | 91.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.7 | 166.3 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | L96 L97 L123 P129 V132 V157 N158 V160 | T92-L96 CarbonylContact C-O 3.44Å; T92-L96 WeakPolarHBondContact CA-O 3.33Å; T92-L97 HydrophobicContact CG2-CB 4.46Å; T92-L97 HydrophobicContact CG2-CD1 3.88Å; T92-L123 HydrophobicContact CG2-CD1 4.15Å; T92-P129 HydrophobicContact CG2-CB 4.09Å; T92-V132 HydrophobicContact CG2-CB 4.36Å; T92-V132 HydrophobicContact CG2-CG2 3.91Å; T92-V157 WeakPolarHBondContact O-CA 3.41Å; T92-N158 PolarHBondContact N-O 2.65Å; T92-N158 PolarHBondContact O-N 3.07Å; T92-N158 WeakPolarHBondContact OG1-CB 3.21Å; T92-V160 HydrophobicContact CG2-CG2 4.45Å |
| 93 | V | 89.5 | Confident | 93.6 | Very high | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 114.9 | 173.9 | -177 | 0 | 0 | 0 | 0 | 106.2 | R91 N95 L96 V157 | R91-V93 HydrophobicContact CG-CG2 4.39Å; V93-N95 PolarHBondContact O-N 3.18Å; V93-L96 PolarHBondContact N-O 3.46Å; V93-L96 WeakPolarHBondContact O-CA 3.36Å; V93-L96 VanDerWaalsContact O-CB 3.29Å; V93-L96 WeakPolarHBondContact O-CB 3.36Å; V93-L96 PolarHBondContact O-N 3.18Å; V93-V157 HydrophobicContact CG1-CG2 4.32Å; V93-V157 HydrophobicContact CG2-CG1 4.32Å; V93-V157 HydrophobicContact CG2-CG2 4.25Å |
| 94 | D | 86 | Confident | 93.7 | Very high | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -120.5 | -172.6 | -61 | -57.7 | 0 | 0 | 0 | 111.6 | P129 T155 | D94-P129 VanDerWaalsContact O-CG 3.3Å; D94-P129 WeakPolarHBondContact O-CG 3.29Å; D94-T155 WeakPolarHBondContact OD1-CA 3.37Å; D94-T155 WeakPolarHBondContact OD1-CB 3.46Å; D94-T155 WeakPolarHBondContact OD1-CG2 3.28Å; D94-T155 PolarHBondContact OD1-OG1 3.42Å |
| 95 | N | 85.6 | Confident | 93.8 | Very high | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 17.5 | 175.5 | 69.4 | -41.4 | 0 | 0 | 0 | 112.9 | V93 L123 | V93-N95 PolarHBondContact O-N 3.18Å; N95-L123 WeakPolarHBondContact O-CB 3.24Å; N95-L123 PolarHBondContact O-N 2.72Å |
| 96 | L | 90.5 | Very high | 93.7 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.9 | -179.7 | -56 | 179.5 | 0 | 0 | 0 | 110.3 | P11 T92 V93 E98 T120 Y121 V122 | P11-L96 HydrophobicContact CB-CD2 3.85Å; P11-L96 HydrophobicContact CG-CD1 3.98Å; P11-L96 HydrophobicContact CG-CD2 4.19Å; T92-L96 CarbonylContact C-O 3.44Å; T92-L96 WeakPolarHBondContact CA-O 3.33Å; V93-L96 PolarHBondContact N-O 3.46Å; V93-L96 WeakPolarHBondContact O-CA 3.36Å; V93-L96 VanDerWaalsContact O-CB 3.29Å; V93-L96 WeakPolarHBondContact O-CB 3.36Å; V93-L96 PolarHBondContact O-N 3.18Å; L96-E98 HydrophobicContact CB-CG 4.5Å; L96-T120 HydrophobicContact CB-CG2 3.85Å; L96-T120 HydrophobicContact CD1-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 4.02Å; L96-T120 HydrophobicContact CG-CG2 4.24Å; L96-Y121 CarbonylContact C-O 3.6Å; L96-Y121 WeakPolarHBondContact CA-O 3.05Å; L96-V122 HydrophobicContact CD2-CG2 4.06Å |
| 97 | L | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.4 | 167.8 | 171.7 | 60.1 | 0 | 0 | 0 | 108.5 | F74 V90 T92 T120 Y121 L123 V132 L144 | F74-L97 HydrophobicContact CE1-CD2 3.75Å; F74-L97 HydrophobicContact CZ-CD2 4.18Å; V90-L97 HydrophobicContact CG1-CD1 3.58Å; T92-L97 HydrophobicContact CG2-CB 4.46Å; T92-L97 HydrophobicContact CG2-CD1 3.88Å; L97-T120 CarbonylContact O-C 3.55Å; L97-T120 WeakPolarHBondContact O-CA 3.19Å; L97-Y121 HydrophobicContact CG-CD2 4.49Å; L97-Y121 PolarHBondContact N-O 2.97Å; L97-Y121 PolarHBondContact O-N 3.19Å; L97-L123 HydrophobicContact CB-CD1 4.27Å; L97-L123 HydrophobicContact CB-CD2 3.86Å; L97-L123 HydrophobicContact CB-CG 3.97Å; L97-L123 HydrophobicContact CD2-CD2 4.17Å; L97-V132 HydrophobicContact CD1-CG1 4.04Å; L97-V132 HydrophobicContact CD2-CG1 4.37Å; L97-L144 HydrophobicContact CD2-CB 4.16Å; L97-L144 HydrophobicContact CD2-CD1 3.93Å; L97-L144 HydrophobicContact CD2-CG 4.49Å; L97-L144 HydrophobicContact CG-CD1 4.45Å |
| 98 | E | 94.2 | Very high | 93.1 | Very high | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.2 | -177.9 | -62 | -173.5 | 165.3 | 0 | 0 | 110.7 | V90 R91 L96 T120 | V90-E98 WeakPolarHBondContact CA-O 3.29Å; R91-E98 HydrophobicContact CG-CB 3.97Å; R91-E98 IonicContact CZ-OE2 3.1Å; R91-E98 PolarHBondContact N-O 2.96Å; R91-E98 IonicContact NE-OE2 3.18Å; R91-E98 PolarHBondContact NE-OE2 3.25Å; R91-E98 IonicContact NH2-OE2 3.3Å; R91-E98 PolarHBondContact NH2-OE2 2.66Å; R91-E98 PolarHBondContact O-N 3.35Å; L96-E98 HydrophobicContact CB-CG 4.5Å; E98-T120 HydrophobicContact CG-CG2 3.95Å |
| 99 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.6 | 173.6 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | L78 V88 T89 V90 F117 C118 R119 L142 L144 | L78-V99 HydrophobicContact CD1-CB 3.91Å; L78-V99 HydrophobicContact CD1-CG1 3.8Å; L78-V99 HydrophobicContact CD1-CG2 3.69Å; V88-V99 HydrophobicContact CG1-CG1 4.18Å; T89-V99 WeakPolarHBondContact O-CA 3.35Å; V90-V99 HydrophobicContact CG2-CG1 4.39Å; V90-V99 HydrophobicContact CG2-CG2 4.34Å; V99-F117 HydrophobicContact CB-CE2 4.42Å; V99-F117 HydrophobicContact CG1-CE2 4.04Å; V99-F117 HydrophobicContact CG1-CZ 3.91Å; V99-C118 CarbonylContact O-C 3.53Å; V99-C118 WeakPolarHBondContact O-CA 3.25Å; V99-R119 PolarHBondContact N-O 3.49Å; V99-R119 PolarHBondContact O-N 3.14Å; V99-L142 HydrophobicContact CG1-CD2 3.85Å; V99-L144 HydrophobicContact CG2-CD1 3.62Å |
| 100 | S | 95.7 | Very high | 91.9 | Very high | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.3 | 171.9 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | V88 T89 F117 | V88-S100 CarbonylContact C-O 3.56Å; V88-S100 WeakPolarHBondContact CA-O 3.39Å; T89-S100 PolarHBondContact N-O 3.01Å; T89-S100 PolarHBondContact O-N 2.74Å; S100-F117 WeakPolarHBondContact CA-O 3.28Å |
| 101 | A | 95.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F83 E87 V88 E116 F117 | F83-A101 HydrophobicContact CB-CB 4.24Å; F83-A101 HydrophobicContact CD1-CB 3.55Å; F83-A101 HydrophobicContact CD2-CB 3.84Å; F83-A101 HydrophobicContact CE1-CB 3.76Å; F83-A101 HydrophobicContact CE2-CB 4.05Å; F83-A101 HydrophobicContact CG-CB 3.59Å; F83-A101 HydrophobicContact CZ-CB 4Å; E87-A101 WeakPolarHBondContact O-CA 3.04Å; E87-A101 WeakPolarHBondContact O-CB 3.48Å; V88-A101 HydrophobicContact CB-CB 4.38Å; V88-A101 HydrophobicContact CG1-CB 4.49Å; V88-A101 HydrophobicContact CG2-CB 3.9Å; A101-E116 CarbonylContact O-C 3.56Å; A101-E116 VanDerWaalsContact O-CA 3.29Å; A101-E116 WeakPolarHBondContact O-CA 3.11Å; A101-F117 HydrophobicContact CB-CD1 3.69Å; A101-F117 HydrophobicContact CB-CE1 3.26Å; A101-F117 HydrophobicContact CB-CZ 4.03Å; A101-F117 PolarHBondContact N-O 2.59Å; A101-F117 PolarHBondContact O-N 3.41Å |
| 102 | R | 96.3 | Very high | 91.3 | Very high | 166 Ų | 166 | 69.7 Ų | 69.7 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 130.3 | -177.5 | -178 | 177.1 | 175 | -176.2 | -2.7 | 111.3 | E87 R115 E116 | E87-R102 WeakPolarHBondContact CB-O 3.29Å; E87-R102 PolarHBondContact O-N 2.9Å; E87-R102 VanDerWaalsContact O-N 3.11Å; R102-R115 WeakPolarHBondContact CA-O 3.11Å; R102-E116 HydrophobicContact CB-CB 4.43Å; R102-E116 HydrophobicContact CB-CG 4.2Å; R102-E116 HydrophobicContact CG-CB 4.17Å; R102-E116 HydrophobicContact CG-CG 4.19Å; R102-E116 IonicContact NE-OE2 3.23Å |
| 103 | H | 95 | Very high | 91.3 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.9 | 168.8 | 75.9 | 74.1 | 0 | 0 | 0 | 111.1 | H82 F83 E87 V113 R115 | H82-H103 PolarHBondContact O-CD2 2.81Å; H82-H103 VanDerWaalsContact O-CD2 3.24Å; F83-H103 HydrophobicContact CD1-CB 4.28Å; F83-H103 AromaticContact CD1-CD2 3.77Å; F83-H103 AromaticContact CE1-CD2 3.68Å; E87-H103 HydrophobicContact CG-CB 4.48Å; E87-H103 WeakPolarHBondContact OE1-CA 3.4Å; E87-H103 WeakPolarHBondContact OE1-CB 3.37Å; E87-H103 WeakPolarHBondContact OE2-CB 3.47Å; H103-V113 PolarHBondContact CE1-O 2.76Å; H103-R115 PolarHBondContact CE1-N 2.91Å; H103-R115 PolarHBondContact N-O 3.11Å; H103-R115 WeakPolarHBondContact NE2-CB 3.4Å; H103-R115 VanDerWaalsContact NE2-CG 3.34Å; H103-R115 WeakPolarHBondContact NE2-CG 3.43Å; H103-R115 PolarHBondContact NE2-NH1 2.75Å; H103-R115 PolarHBondContact O-N 2.95Å |
| 104 | P | 95.1 | Very high | 91.5 | Very high | 87 Ų | 87 | 73 Ų | 73 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -178.7 | 175.1 | 32 | -36.3 | 0 | 0 | 0 | 111.2 | R106 | P104-R106 PolarHBondContact O-N 2.9Å; P104-R106 VanDerWaalsContact O-N 3.14Å |
| 105 | Q | 95.2 | Very high | 91.9 | Very high | 132 Ų | 132 | 71.7 Ų | 71.7 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 118.1 | 177.9 | -169.7 | 173.8 | -9 | 0 | 0 | 111.1 | F112 V113 | Q105-F112 HydrophobicContact CG-CB 3.56Å; Q105-F112 HydrophobicContact CG-CD1 4.02Å; Q105-F112 HydrophobicContact CG-CG 4.12Å; Q105-F112 VanDerWaalsContact NE2-CG 3.29Å; Q105-V113 WeakPolarHBondContact CA-O 3.37Å |
| 106 | R | 92.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 75.1 Ų | 75.1 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.9 | 175.7 | -70 | 174 | 173.5 | 170 | -9.8 | 109.5 | E87 P104 F112 V113 | E87-R106 IonicContact OE1-CZ 3.15Å; E87-R106 IonicContact OE1-NE 3.85Å; E87-R106 IonicContact OE1-NH1 3.1Å; E87-R106 PolarHBondContact OE1-NH1 2.84Å; E87-R106 IonicContact OE1-NH2 3.96Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.63Å; E87-R106 VanDerWaalsContact OE2-CZ 3.27Å; E87-R106 IonicContact OE2-NH1 3.49Å; E87-R106 PolarHBondContact OE2-NH1 3.16Å; E87-R106 IonicContact OE2-NH2 2.87Å; E87-R106 PolarHBondContact OE2-NH2 2.63Å; E87-R106 VanDerWaalsContact OE2-NH2 3.1Å; P104-R106 PolarHBondContact O-N 2.9Å; P104-R106 VanDerWaalsContact O-N 3.14Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 VanDerWaalsContact O-CA 3.28Å; R106-F112 WeakPolarHBondContact O-CA 3.38Å; R106-V113 PolarHBondContact N-O 2.99Å; R106-V113 PolarHBondContact O-N 2.97Å |
| 107 | L | 91.6 | Very high | 92.3 | Very high | 136 Ų | 136 | 76.2 Ų | 76.2 | 71% | 0.712 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.8 | 171.7 | -172.4 | 77.2 | 0 | 0 | 0 | 109.2 | G111 F112 | L107-G111 CarbonylContact C-O 3.56Å; L107-G111 WeakPolarHBondContact CA-O 3.38Å; L107-G111 VanDerWaalsContact CD1-O 3.28Å; L107-G111 WeakPolarHBondContact CD1-O 3.26Å; L107-F112 HydrophobicContact CB-CD1 4.45Å; L107-F112 HydrophobicContact CB-CE1 4.36Å; L107-F112 HydrophobicContact CD1-CD1 4.25Å; L107-F112 HydrophobicContact CD1-CE1 3.91Å; L107-F112 HydrophobicContact CD1-CE2 4.39Å; L107-F112 HydrophobicContact CD1-CZ 3.98Å |
| 108 | D | 87.2 | Confident | 92.3 | Very high | 47 Ų | 47 | 80.6 Ų | 80.6 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | -172.6 | 171.1 | 78.2 | 2.3 | 0 | 0 | 0 | 111.3 | H110 G111 V113 | D108-H110 PolarHBondContact O-N 3.15Å; D108-H110 WeakPolarHBondContact OD1-CA 3.11Å; D108-H110 PolarHBondContact OD1-N 3.43Å; D108-G111 PolarHBondContact N-O 3.01Å; D108-G111 PolarHBondContact O-N 3.08Å; D108-G111 PolarHBondContact OD1-N 2.93Å; D108-V113 HydrophobicContact CB-CG1 3.83Å; D108-V113 VanDerWaalsContact OD2-CG1 3.3Å; D108-V113 WeakPolarHBondContact OD2-CG1 3.42Å |
| 109 | R | 84.1 | Confident | 92.1 | Very high | 231 Ų | 231 | 81.3 Ų | 81.3 | 87% | 0.872 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.7 | -179.7 | -174.6 | 178.3 | 179.1 | -173.2 | 0 | 113.8 | ||
| 110 | H | 84 | Confident | 91.9 | Very high | 128 Ų | 128 | 84.5 Ų | 84.5 | 59% | 0.593 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -4.3 | -172.3 | -60.6 | -74.8 | 0 | 0 | 0 | 113.2 | G32 D108 | G32-H110 WeakPolarHBondContact CA-NE2 2.97Å; D108-H110 PolarHBondContact O-N 3.15Å; D108-H110 WeakPolarHBondContact OD1-CA 3.11Å; D108-H110 PolarHBondContact OD1-N 3.43Å |
| 111 | G | 89.1 | Confident | 91.6 | Very high | 26 Ų | 26 | 82.9 Ų | 82.9 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.1 | -113.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L107 D108 | L107-G111 CarbonylContact C-O 3.56Å; L107-G111 WeakPolarHBondContact CA-O 3.38Å; L107-G111 VanDerWaalsContact CD1-O 3.28Å; L107-G111 WeakPolarHBondContact CD1-O 3.26Å; D108-G111 PolarHBondContact N-O 3.01Å; D108-G111 PolarHBondContact O-N 3.08Å; D108-G111 PolarHBondContact OD1-N 2.93Å |
| 112 | F | 91.9 | Very high | 91.2 | Very high | 141 Ų | 141 | 86 Ų | 86 | 62% | 0.618 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.4 | -179.3 | -64.9 | -87.4 | 0 | 0 | 0 | 111.6 | Q105 R106 L107 | Q105-F112 HydrophobicContact CG-CB 3.56Å; Q105-F112 HydrophobicContact CG-CD1 4.02Å; Q105-F112 HydrophobicContact CG-CG 4.12Å; Q105-F112 VanDerWaalsContact NE2-CG 3.29Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 VanDerWaalsContact O-CA 3.28Å; R106-F112 WeakPolarHBondContact O-CA 3.38Å; L107-F112 HydrophobicContact CB-CD1 4.45Å; L107-F112 HydrophobicContact CB-CE1 4.36Å; L107-F112 HydrophobicContact CD1-CD1 4.25Å; L107-F112 HydrophobicContact CD1-CE1 3.91Å; L107-F112 HydrophobicContact CD1-CE2 4.39Å; L107-F112 HydrophobicContact CD1-CZ 3.98Å |
| 113 | V | 91.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 78.2 Ų | 78.2 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.8 | -177.2 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | H103 Q105 R106 D108 R115 | H103-V113 PolarHBondContact CE1-O 2.76Å; Q105-V113 WeakPolarHBondContact CA-O 3.37Å; R106-V113 PolarHBondContact N-O 2.99Å; R106-V113 PolarHBondContact O-N 2.97Å; D108-V113 HydrophobicContact CB-CG1 3.83Å; D108-V113 VanDerWaalsContact OD2-CG1 3.3Å; D108-V113 WeakPolarHBondContact OD2-CG1 3.42Å; V113-R115 HydrophobicContact CG2-CG 4.05Å; V113-R115 VanDerWaalsContact CG2-CZ 3.5Å |
| 114 | S | 93.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 78.4 Ų | 78.4 | 57% | 0.573 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.2 | 166.5 | 57.3 | 0 | 0 | 0 | 0 | 108 | ||
| 115 | R | 93 | Very high | 89.8 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.7 | 177.6 | -60 | 179.6 | 177.2 | 79.4 | 3.5 | 110.1 | F29 G30 F83 R102 H103 V113 | F29-R115 PolarHBondContact O-NE 3.42Å; F29-R115 VanDerWaalsContact O-NE 3.16Å; G30-R115 PolarHBondContact O-NH2 2.97Å; F83-R115 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CZ-CB 3.63Å; R102-R115 WeakPolarHBondContact CA-O 3.11Å; H103-R115 PolarHBondContact CE1-N 2.91Å; H103-R115 PolarHBondContact N-O 3.11Å; H103-R115 WeakPolarHBondContact NE2-CB 3.4Å; H103-R115 VanDerWaalsContact NE2-CG 3.34Å; H103-R115 WeakPolarHBondContact NE2-CG 3.43Å; H103-R115 PolarHBondContact NE2-NH1 2.75Å; H103-R115 PolarHBondContact O-N 2.95Å; V113-R115 HydrophobicContact CG2-CG 4.05Å; V113-R115 VanDerWaalsContact CG2-CZ 3.5Å |
| 116 | E | 94.3 | Very high | 89.3 | Confident | 140 Ų | 140 | 74.7 Ų | 74.7 | 65% | 0.654 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144 | 130 | 171.4 | -178.4 | 168.4 | -160.8 | 0 | 0 | 107.4 | A101 R102 | A101-E116 CarbonylContact O-C 3.56Å; A101-E116 VanDerWaalsContact O-CA 3.29Å; A101-E116 WeakPolarHBondContact O-CA 3.11Å; R102-E116 HydrophobicContact CB-CB 4.43Å; R102-E116 HydrophobicContact CB-CG 4.2Å; R102-E116 HydrophobicContact CG-CB 4.17Å; R102-E116 HydrophobicContact CG-CG 4.19Å; R102-E116 IonicContact NE-OE2 3.23Å |
| 117 | F | 91 | Very high | 89 | Confident | 47 Ų | 47 | 71 Ų | 71 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.3 | 169.1 | 87.5 | -91.3 | 0 | 0 | 0 | 110.3 | V80 F83 V99 S100 A101 R119 | V80-F117 HydrophobicContact CG1-CE1 3.85Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; F83-F117 HydrophobicContact CD2-CD1 4.32Å; F83-F117 HydrophobicContact CD2-CE1 4.03Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 VanDerWaalsContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 AromaticContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CE1 4.2Å; V99-F117 HydrophobicContact CB-CE2 4.42Å; V99-F117 HydrophobicContact CG1-CE2 4.04Å; V99-F117 HydrophobicContact CG1-CZ 3.91Å; S100-F117 WeakPolarHBondContact CA-O 3.28Å; A101-F117 HydrophobicContact CB-CD1 3.69Å; A101-F117 HydrophobicContact CB-CE1 3.26Å; A101-F117 HydrophobicContact CB-CZ 4.03Å; A101-F117 PolarHBondContact N-O 2.59Å; A101-F117 PolarHBondContact O-N 3.41Å; F117-R119 HydrophobicContact CD2-CB 4.13Å; F117-R119 HydrophobicContact CE2-CB 4.04Å |
| 118 | C | 92.3 | Very high | 88.8 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 63% | 0.628 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.9 | 168.5 | -176 | 0 | 0 | 0 | 0 | 107.6 | V99 | V99-C118 CarbonylContact O-C 3.53Å; V99-C118 WeakPolarHBondContact O-CA 3.25Å |
| 119 | R | 90.5 | Very high | 88.9 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.7 | 178.2 | -172.6 | 151.1 | 176.4 | -161.2 | 1.1 | 110.1 | S65 V99 F117 Y121 | S65-R119 PolarHBondContact OG-NH1 2.76Å; V99-R119 PolarHBondContact N-O 3.49Å; V99-R119 PolarHBondContact O-N 3.14Å; F117-R119 HydrophobicContact CD2-CB 4.13Å; F117-R119 HydrophobicContact CE2-CB 4.04Å; R119-Y121 HydrophobicContact CG-CE2 3.96Å; R119-Y121 PolarHBondContact NE-OH 3.11Å; R119-Y121 PolarHBondContact NH1-OH 3.1Å; R119-Y121 PolarHBondContact NH2-OH 3.44Å |
| 120 | T | 90.4 | Very high | 89.1 | Confident | 68 Ų | 68 | 59 Ų | 59 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.2 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 109.4 | L96 L97 E98 | L96-T120 HydrophobicContact CB-CG2 3.85Å; L96-T120 HydrophobicContact CD1-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 4.02Å; L96-T120 HydrophobicContact CG-CG2 4.24Å; L97-T120 CarbonylContact O-C 3.55Å; L97-T120 WeakPolarHBondContact O-CA 3.19Å; E98-T120 HydrophobicContact CG-CG2 3.95Å |
| 121 | Y | 89.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.3 | 169.4 | -61.5 | -85.2 | 0 | 0 | 0 | 109.3 | L67 A76 L78 L96 L97 R119 L123 L144 | L67-Y121 HydrophobicContact CD1-CD1 4.24Å; L67-Y121 HydrophobicContact CD1-CE1 4.38Å; A76-Y121 HydrophobicContact CB-CE1 4.39Å; A76-Y121 HydrophobicContact CB-CE2 4.35Å; L78-Y121 HydrophobicContact CD1-CE2 4.14Å; L78-Y121 HydrophobicContact CD2-CE2 4.39Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y121 HydrophobicContact CG-CE2 4.47Å; L96-Y121 CarbonylContact C-O 3.6Å; L96-Y121 WeakPolarHBondContact CA-O 3.05Å; L97-Y121 HydrophobicContact CG-CD2 4.49Å; L97-Y121 PolarHBondContact N-O 2.97Å; L97-Y121 PolarHBondContact O-N 3.19Å; R119-Y121 HydrophobicContact CG-CE2 3.96Å; R119-Y121 PolarHBondContact NE-OH 3.11Å; R119-Y121 PolarHBondContact NH1-OH 3.1Å; R119-Y121 PolarHBondContact NH2-OH 3.44Å; Y121-L123 PolarHBondContact O-N 3.36Å; Y121-L144 HydrophobicContact CE2-CD1 4.48Å |
| 122 | V | 87.8 | Confident | 89.6 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.9 | 165.9 | -176 | 0 | 0 | 0 | 0 | 107.1 | L96 | L96-V122 HydrophobicContact CD2-CG2 4.06Å |
| 123 | L | 87.1 | Confident | 89.8 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 133.4 | 172 | -66.6 | 176.3 | 0 | 0 | 0 | 108.8 | F74 T92 N95 L97 Y121 V127 P129 V132 | F74-L123 HydrophobicContact CD1-CD2 4.17Å; F74-L123 HydrophobicContact CD2-CD2 4.42Å; F74-L123 HydrophobicContact CE1-CD2 3.93Å; F74-L123 HydrophobicContact CE2-CD2 4.17Å; F74-L123 HydrophobicContact CG-CD2 4.42Å; F74-L123 HydrophobicContact CZ-CD2 3.94Å; T92-L123 HydrophobicContact CG2-CD1 4.15Å; N95-L123 WeakPolarHBondContact O-CB 3.24Å; N95-L123 PolarHBondContact O-N 2.72Å; L97-L123 HydrophobicContact CB-CD1 4.27Å; L97-L123 HydrophobicContact CB-CD2 3.86Å; L97-L123 HydrophobicContact CB-CG 3.97Å; L97-L123 HydrophobicContact CD2-CD2 4.17Å; Y121-L123 PolarHBondContact O-N 3.36Å; L123-V127 HydrophobicContact CB-CB 4.42Å; L123-V127 HydrophobicContact CD1-CG1 4.42Å; L123-V127 HydrophobicContact CD2-CG1 4.18Å; L123-P129 HydrophobicContact CD1-CB 4.24Å; L123-P129 HydrophobicContact CD1-CG 4.24Å; L123-V132 HydrophobicContact CD1-CG2 4.31Å |
| 124 | P | 86 | Confident | 90 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 148.5 | 169.7 | -26.5 | 34.8 | 0 | 0 | 0 | 111.6 | L69 F74 D126 V127 | L69-P124 HydrophobicContact CD2-CG 3.95Å; F74-P124 HydrophobicContact CD2-CG 4.14Å; P124-D126 WeakPolarHBondContact CB-OD1 2.97Å; P124-D126 PolarHBondContact O-N 2.93Å; P124-V127 HydrophobicContact CB-CG2 4.1Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 WeakPolarHBondContact O-CB 3.46Å; P124-V127 PolarHBondContact O-N 3.37Å |
| 125 | A | 82.7 | Confident | 90.1 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 74% | 0.736 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 126 | D | 84.2 | Confident | 90.2 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.9 | 177.4 | 64.4 | -34.7 | 0 | 0 | 0 | 113.9 | P124 R148 G149 G150 | P124-D126 WeakPolarHBondContact CB-OD1 2.97Å; P124-D126 PolarHBondContact O-N 2.93Å; D126-R148 IonicContact OD1-CZ 3.08Å; D126-R148 IonicContact OD1-NE 3.86Å; D126-R148 PolarHBondContact OD1-NE 2.9Å; D126-R148 IonicContact OD1-NH2 3.41Å; D126-R148 PolarHBondContact OD1-NH2 2.98Å; D126-R148 WeakPolarHBondContact OD2-CB 3.41Å; D126-R148 IonicContact OD2-CZ 2.91Å; D126-R148 IonicContact OD2-NE 2.73Å; D126-R148 PolarHBondContact OD2-NE 2.89Å; D126-R148 IonicContact OD2-NH2 3.1Å; D126-R148 PolarHBondContact OD2-NH2 3.27Å; D126-G149 PolarHBondContact O-N 3.33Å; D126-G150 PolarHBondContact O-N 2.84Å |
| 127 | V | 87.7 | Confident | 90.1 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 130.6 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | F74 L123 P124 P129 A146 R148 | F74-V127 HydrophobicContact CB-CG2 3.83Å; L123-V127 HydrophobicContact CB-CB 4.42Å; L123-V127 HydrophobicContact CD1-CG1 4.42Å; L123-V127 HydrophobicContact CD2-CG1 4.18Å; P124-V127 HydrophobicContact CB-CG2 4.1Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 WeakPolarHBondContact O-CB 3.46Å; P124-V127 PolarHBondContact O-N 3.37Å; V127-P129 WeakPolarHBondContact O-CD 3.36Å; V127-A146 HydrophobicContact CG1-CB 3.48Å; V127-A146 VanDerWaalsContact CG1-CB 3.48Å; V127-R148 HydrophobicContact CG2-CG 3.68Å |
| 128 | D | 86.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | trans | -84.4 | 116.5 | 171.6 | 179.6 | -1.5 | 0 | 0 | 0 | 110 | W130 R131 | D128-W130 PolarHBondContact O-N 3.24Å; D128-W130 WeakPolarHBondContact OD1-CB 3.49Å; D128-W130 PolarHBondContact OD1-N 3.47Å; D128-R131 HydrophobicContact CB-CB 4.27Å; D128-R131 HydrophobicContact CB-CG 4.04Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 VanDerWaalsContact OD2-CD 3.31Å; D128-R131 WeakPolarHBondContact OD2-CD 3.48Å; D128-R131 WeakPolarHBondContact OD2-CG 3.13Å | ||
| 129 | P | 88.8 | Confident | 89.6 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -57.9 | -29.4 | 179.6 | -23.4 | 33.9 | 0 | 0 | 0 | 113.9 | T92 D94 L123 V127 R131 V132 N158 | T92-P129 HydrophobicContact CG2-CB 4.09Å; D94-P129 VanDerWaalsContact O-CG 3.3Å; D94-P129 WeakPolarHBondContact O-CG 3.29Å; L123-P129 HydrophobicContact CD1-CB 4.24Å; L123-P129 HydrophobicContact CD1-CG 4.24Å; V127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-R131 PolarHBondContact O-N 3.16Å; P129-V132 WeakPolarHBondContact O-CG2 3.4Å; P129-V132 PolarHBondContact O-N 2.93Å; P129-N158 PolarHBondContact O-ND2 2.9Å |
| 130 | W | 88.6 | Confident | 89.6 | Confident | 118 Ų | 118 | 50.8 Ų | 50.8 | 45% | 0.447 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -71.9 | -17.7 | 178.6 | -70.5 | 97.7 | 0 | 0 | 0 | 113.5 | D128 E156 N158 | D128-W130 PolarHBondContact O-N 3.24Å; D128-W130 WeakPolarHBondContact OD1-CB 3.49Å; D128-W130 PolarHBondContact OD1-N 3.47Å; W130-E156 HydrophobicContact CZ2-CB 4.02Å; W130-E156 VanDerWaalsContact CZ2-OE2 3.22Å; W130-E156 WeakPolarHBondContact CZ2-OE2 3.3Å; W130-N158 HydrophobicContact CD2-CB 4.09Å; W130-N158 HydrophobicContact CE3-CB 3.84Å; W130-N158 HydrophobicContact CH2-CB 3.88Å; W130-N158 HydrophobicContact CZ2-CB 4.1Å; W130-N158 HydrophobicContact CZ3-CB 3.75Å; W130-N158 VanDerWaalsContact CZ3-CG 3.49Å; W130-N158 WeakPolarHBondContact CZ3-OD1 3.5Å |
| 131 | R | 90.8 | Very high | 89.6 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 45% | 0.449 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -97.7 | 5.1 | -179.5 | -61.9 | 177.8 | 71.8 | -154.2 | 2.3 | 112.7 | D128 P129 R133 P147 | D128-R131 HydrophobicContact CB-CB 4.27Å; D128-R131 HydrophobicContact CB-CG 4.04Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 VanDerWaalsContact OD2-CD 3.31Å; D128-R131 WeakPolarHBondContact OD2-CD 3.48Å; D128-R131 WeakPolarHBondContact OD2-CG 3.13Å; P129-R131 PolarHBondContact O-N 3.16Å; R131-R133 PolarHBondContact O-N 3.3Å; R131-P147 HydrophobicContact CB-CG 3.72Å; R131-P147 HydrophobicContact CG-CG 4.44Å; R131-P147 VanDerWaalsContact NE-CG 3.29Å; R131-P147 VanDerWaalsContact NH1-CG 3.3Å; R131-P147 WeakPolarHBondContact O-CD 3.22Å |
| 132 | V | 93.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | trans | -65.2 | 131.2 | 171.6 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | T92 L97 L123 P129 E145 A146 V160 | T92-V132 HydrophobicContact CG2-CB 4.36Å; T92-V132 HydrophobicContact CG2-CG2 3.91Å; L97-V132 HydrophobicContact CD1-CG1 4.04Å; L97-V132 HydrophobicContact CD2-CG1 4.37Å; L123-V132 HydrophobicContact CD1-CG2 4.31Å; P129-V132 WeakPolarHBondContact O-CG2 3.4Å; P129-V132 PolarHBondContact O-N 2.93Å; V132-E145 CarbonylContact C-O 3.59Å; V132-E145 WeakPolarHBondContact CA-O 3.37Å; V132-A146 HydrophobicContact CB-CB 4.47Å; V132-A146 HydrophobicContact CG2-CB 3.86Å; V132-V160 HydrophobicContact CB-CG2 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.26Å; V132-V160 HydrophobicContact CG1-CG2 4.08Å | ||
| 133 | R | 95.4 | Very high | 90.2 | Very high | 193 Ų | 193 | 47.3 Ų | 47.3 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.6 | 174.3 | -64.6 | -179.1 | 179.4 | -90.9 | -2.6 | 109 | R131 L144 E145 | R131-R133 PolarHBondContact O-N 3.3Å; R133-L144 WeakPolarHBondContact O-CA 3.21Å; R133-E145 PolarHBondContact N-O 3.48Å; R133-E145 PolarHBondContact O-N 3.38Å |
| 134 | A | 96.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V90 L142 N143 L144 V160 I162 S163 | V90-A134 HydrophobicContact CG2-CB 4.28Å; A134-L142 HydrophobicContact CB-CD1 4.19Å; A134-N143 CarbonylContact C-O 3.56Å; A134-N143 WeakPolarHBondContact CA-O 3.12Å; A134-L144 HydrophobicContact CB-CD2 3.72Å; A134-V160 HydrophobicContact CB-CG1 3.74Å; A134-I162 HydrophobicContact CB-CB 4.42Å; A134-I162 HydrophobicContact CB-CG1 3.99Å; A134-S163 PolarHBondContact O-N 3.41Å; A134-S163 PolarHBondContact O-OG 2.98Å |
| 135 | A | 96.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | N143 S163 L165 | A135-N143 PolarHBondContact N-O 3.15Å; A135-N143 PolarHBondContact O-N 2.85Å; A135-S163 CarbonylContact C-O 3.58Å; A135-S163 VanDerWaalsContact CA-O 3.27Å; A135-S163 WeakPolarHBondContact CA-O 3.5Å; A135-S163 WeakPolarHBondContact CB-OG 3.48Å; A135-L165 HydrophobicContact CB-CD1 4.33Å; A135-L165 HydrophobicContact CB-CD2 4.23Å; A135-L165 HydrophobicContact CB-CG 4.22Å |
| 136 | L | 95.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.4 | 178.8 | 178.3 | 60.6 | 0 | 0 | 0 | 109.3 | V80 P85 L142 I162 S163 L164 L165 | V80-L136 HydrophobicContact CG2-CD1 3.5Å; P85-L136 HydrophobicContact CB-CD2 3.8Å; P85-L136 HydrophobicContact CG-CD2 3.73Å; L136-L142 HydrophobicContact CB-CD1 4.39Å; L136-L142 HydrophobicContact CD1-CB 4.21Å; L136-I162 HydrophobicContact CB-CG2 3.53Å; L136-S163 PolarHBondContact N-O 3.16Å; L136-L164 HydrophobicContact CB-CD2 4.17Å; L136-L164 HydrophobicContact CD2-CD2 4.06Å; L136-L164 HydrophobicContact CG-CD2 4.44Å; L136-L165 PolarHBondContact O-N 3.05Å |
| 137 | S | 92.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 21% | 0.211 | C | C | . | . | trans | -79.4 | 159.9 | 175 | 63 | 0 | 0 | 0 | 0 | 112.4 | D139 G140 I141 | S137-D139 WeakPolarHBondContact CB-OD1 3.29Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 PolarHBondContact OG-OD1 2.95Å; S137-G140 PolarHBondContact O-N 2.8Å; S137-I141 PolarHBondContact N-O 3.1Å; S137-I141 WeakPolarHBondContact OG-CA 3.39Å; S137-I141 VanDerWaalsContact OG-CB 3.29Å; S137-I141 WeakPolarHBondContact OG-CB 3.36Å; S137-I141 PolarHBondContact OG-N 3.39Å; S137-I141 PolarHBondContact OG-O 3.14Å | ||
| 138 | H | 86.9 | Confident | 91.6 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 55% | 0.546 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.4 | 178.4 | 74.2 | -75.4 | 0 | 0 | 0 | 113.5 | G140 A167 P168 | H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.62Å; H138-A167 HydrophobicContact CB-CB 4.23Å; H138-P168 WeakPolarHBondContact CE1-CD 3.28Å; H138-P168 WeakPolarHBondContact ND1-CD 3.38Å |
| 139 | D | 85.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7.3 | 176 | 63.5 | -31.3 | 0 | 0 | 0 | 113.2 | S137 | S137-D139 WeakPolarHBondContact CB-OD1 3.29Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 PolarHBondContact OG-OD1 2.95Å |
| 140 | G | 89.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 84.1 | 21.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V80 S81 S137 H138 | V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.26Å; V80-G140 WeakPolarHBondContact CG2-O 3.39Å; V80-G140 PolarHBondContact N-O 3.33Å; S81-G140 PolarHBondContact N-O 3.11Å; S137-G140 PolarHBondContact O-N 2.8Å; H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.62Å |
| 141 | I | 91.3 | Very high | 88.5 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.2 | 175.2 | -51.2 | -58.5 | 0 | 0 | 0 | 110 | F77 L78 D79 S137 | F77-I141 HydrophobicContact CB-CG2 4.32Å; F77-I141 HydrophobicContact CD1-CG2 4.12Å; L78-I141 CarbonylContact O-C 3.45Å; L78-I141 WeakPolarHBondContact O-CA 3.34Å; D79-I141 HydrophobicContact CB-CD1 4.16Å; S137-I141 PolarHBondContact N-O 3.1Å; S137-I141 WeakPolarHBondContact OG-CA 3.39Å; S137-I141 VanDerWaalsContact OG-CB 3.29Å; S137-I141 WeakPolarHBondContact OG-CB 3.36Å; S137-I141 PolarHBondContact OG-N 3.39Å; S137-I141 PolarHBondContact OG-O 3.14Å |
| 142 | L | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 116.3 | 173.5 | 177.7 | 69.3 | 0 | 0 | 0 | 109.8 | F77 L78 V80 V88 V90 V99 A134 L136 L144 I162 | F77-L142 CarbonylContact C-O 3.48Å; F77-L142 WeakPolarHBondContact CA-O 3.41Å; L78-L142 HydrophobicContact CB-CB 4.13Å; L78-L142 HydrophobicContact CD1-CD2 4.19Å; L78-L142 PolarHBondContact N-O 2.88Å; L78-L142 PolarHBondContact O-N 3.12Å; V80-L142 HydrophobicContact CG1-CB 4.34Å; V80-L142 HydrophobicContact CG2-CB 3.9Å; V88-L142 HydrophobicContact CG1-CD2 4.07Å; V90-L142 HydrophobicContact CG2-CD2 3.97Å; V99-L142 HydrophobicContact CG1-CD2 3.85Å; A134-L142 HydrophobicContact CB-CD1 4.19Å; L136-L142 HydrophobicContact CB-CD1 4.39Å; L136-L142 HydrophobicContact CD1-CB 4.21Å; L142-L144 HydrophobicContact CD1-CD2 4.35Å; L142-L144 HydrophobicContact CD2-CD1 4.39Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.34Å; L142-L144 HydrophobicContact CG-CD2 4.12Å; L142-L144 HydrophobicContact CG-CG 4.19Å; L142-I162 HydrophobicContact CD1-CD1 4.42Å; L142-I162 HydrophobicContact CD1-CG1 4.48Å; L142-I162 HydrophobicContact CD1-CG2 3.99Å |
| 143 | N | 94.6 | Very high | 85.3 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.5 | 172.9 | 177.5 | 21.4 | 0 | 0 | 0 | 109.8 | Q75 F77 A134 A135 | Q75-N143 PolarHBondContact NE2-OD1 2.83Å; F77-N143 HydrophobicContact CD1-CB 4.13Å; F77-N143 HydrophobicContact CE1-CB 4.01Å; A134-N143 CarbonylContact C-O 3.56Å; A134-N143 WeakPolarHBondContact CA-O 3.12Å; A135-N143 PolarHBondContact N-O 3.15Å; A135-N143 PolarHBondContact O-N 2.85Å |
| 144 | L | 95.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.8 | 175.7 | -59 | 167 | 0 | 0 | 0 | 107.7 | Q75 A76 L78 V90 L97 V99 Y121 R133 A134 L142 | Q75-L144 CarbonylContact C-O 3.52Å; Q75-L144 WeakPolarHBondContact CA-O 3.49Å; A76-L144 HydrophobicContact CB-CB 4.25Å; A76-L144 HydrophobicContact CB-CD1 4.41Å; A76-L144 PolarHBondContact N-O 3.42Å; A76-L144 PolarHBondContact O-N 3.33Å; L78-L144 HydrophobicContact CD1-CD1 4.01Å; V90-L144 HydrophobicContact CG1-CD2 3.83Å; V90-L144 HydrophobicContact CG2-CD2 4.05Å; L97-L144 HydrophobicContact CD2-CB 4.16Å; L97-L144 HydrophobicContact CD2-CD1 3.93Å; L97-L144 HydrophobicContact CD2-CG 4.49Å; L97-L144 HydrophobicContact CG-CD1 4.45Å; V99-L144 HydrophobicContact CG2-CD1 3.62Å; Y121-L144 HydrophobicContact CE2-CD1 4.48Å; R133-L144 WeakPolarHBondContact O-CA 3.21Å; A134-L144 HydrophobicContact CB-CD2 3.72Å; L142-L144 HydrophobicContact CD1-CD2 4.35Å; L142-L144 HydrophobicContact CD2-CD1 4.39Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.34Å; L142-L144 HydrophobicContact CG-CD2 4.12Å; L142-L144 HydrophobicContact CG-CG 4.19Å |
| 145 | E | 94.5 | Very high | 81.9 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.6 | -178.6 | 174.8 | 164.3 | 148.5 | 0 | 0 | 110.6 | K73 F74 V132 R133 | K73-E145 HydrophobicContact CD-CG 4.26Å; K73-E145 IonicContact NZ-OE1 2.59Å; K73-E145 IonicContact NZ-OE2 2.68Å; K73-E145 PolarHBondContact NZ-OE2 3.36Å; F74-E145 WeakPolarHBondContact O-CA 3.24Å; V132-E145 CarbonylContact C-O 3.59Å; V132-E145 WeakPolarHBondContact CA-O 3.37Å; R133-E145 PolarHBondContact N-O 3.48Å; R133-E145 PolarHBondContact O-N 3.38Å |
| 146 | A | 92.1 | Very high | 81 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K73 F74 V127 V132 | K73-A146 CarbonylContact C-O 3.58Å; K73-A146 WeakPolarHBondContact CA-O 3.28Å; F74-A146 HydrophobicContact CB-CB 4.43Å; F74-A146 HydrophobicContact CD1-CB 4.43Å; F74-A146 PolarHBondContact N-O 2.68Å; F74-A146 PolarHBondContact O-N 3.49Å; V127-A146 HydrophobicContact CG1-CB 3.48Å; V127-A146 VanDerWaalsContact CG1-CB 3.48Å; V132-A146 HydrophobicContact CB-CB 4.47Å; V132-A146 HydrophobicContact CG2-CB 3.86Å |
| 147 | P | 90.2 | Very high | 80.4 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 20% | 0.201 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.2 | 174.5 | 27.8 | -32.7 | 0 | 0 | 0 | 111.1 | R131 | R131-P147 HydrophobicContact CB-CG 3.72Å; R131-P147 HydrophobicContact CG-CG 4.44Å; R131-P147 VanDerWaalsContact NE-CG 3.29Å; R131-P147 VanDerWaalsContact NH1-CG 3.3Å; R131-P147 WeakPolarHBondContact O-CD 3.22Å |
| 148 | R | 85.8 | Confident | 80.1 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -95.9 | 142.5 | 175.2 | -67.9 | 178.3 | 74.8 | 170.2 | 10.9 | 110.3 | S70 G72 D126 V127 | S70-R148 WeakPolarHBondContact O-CD 3.41Å; S70-R148 PolarHBondContact O-NH1 2.47Å; G72-R148 PolarHBondContact O-N 2.66Å; D126-R148 IonicContact OD1-CZ 3.08Å; D126-R148 IonicContact OD1-NE 3.86Å; D126-R148 PolarHBondContact OD1-NE 2.9Å; D126-R148 IonicContact OD1-NH2 3.41Å; D126-R148 PolarHBondContact OD1-NH2 2.98Å; D126-R148 WeakPolarHBondContact OD2-CB 3.41Å; D126-R148 IonicContact OD2-CZ 2.91Å; D126-R148 IonicContact OD2-NE 2.73Å; D126-R148 PolarHBondContact OD2-NE 2.89Å; D126-R148 IonicContact OD2-NH2 3.1Å; D126-R148 PolarHBondContact OD2-NH2 3.27Å; V127-R148 HydrophobicContact CG2-CG 3.68Å |
| 149 | G | 75.5 | Confident | 80.3 | Confident | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | trans | 109.4 | 13.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D126 | D126-G149 PolarHBondContact O-N 3.33Š| ||
| 150 | G | 64.3 | Low | 80.5 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | trans | -105.7 | 111.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D126 H152 | D126-G150 PolarHBondContact O-N 2.84Å; G150-H152 PolarHBondContact O-N 2.9Å | ||
| 151 | R | 59.4 | Low | 80.6 | Confident | 234 Ų | 234 | 75.3 Ų | 75.3 | 88% | 0.883 | 38% | 0.38 | S | S | * | . | trans | -87.3 | 102.9 | 174.1 | -68.6 | 176.6 | 83.5 | 151 | 3.8 | 109.4 | ||||
| 152 | H | 58.5 | Low | 80.6 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | trans | -140.7 | 114.9 | 159.9 | -158.3 | -93.8 | 0 | 0 | 0 | 108.2 | G150 D154 | G150-H152 PolarHBondContact O-N 2.9Å; H152-D154 IonicContact CE1-OD2 3.31Å; H152-D154 PolarHBondContact CE1-OD2 3.12Å; H152-D154 IonicContact ND1-OD2 2.82Å; H152-D154 IonicContact NE2-OD2 2.68Å | ||
| 153 | L | 58.6 | Low | 80.6 | Confident | 146 Ų | 146 | 78.4 Ų | 78.4 | 76% | 0.764 | 40% | 0.402 | S | S | * | . | trans | -121 | 48.9 | -169.7 | -69.2 | 174.1 | 0 | 0 | 0 | 111.3 | ||||
| 154 | D | 60.9 | Low | 80.5 | Confident | 100 Ų | 100 | 82.1 Ų | 82.1 | 54% | 0.535 | 42% | 0.422 | S | S | . | . | trans | -95.6 | 131.2 | 168.1 | -67.3 | -30.8 | 0 | 0 | 0 | 109.1 | H152 E156 | H152-D154 IonicContact CE1-OD2 3.31Å; H152-D154 PolarHBondContact CE1-OD2 3.12Å; H152-D154 IonicContact ND1-OD2 2.82Å; H152-D154 IonicContact NE2-OD2 2.68Å; D154-E156 HydrophobicContact CB-CG 4.43Å; D154-E156 PolarHBondContact O-N 2.84Å; D154-E156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | T | 60.3 | Low | 80.2 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 72% | 0.718 | 44% | 0.442 | S | S | * | . | trans | -68.4 | 99.5 | 176.5 | -77.5 | 0 | 0 | 0 | 0 | 109.4 | D94 | D94-T155 WeakPolarHBondContact OD1-CA 3.37Å; D94-T155 WeakPolarHBondContact OD1-CB 3.46Å; D94-T155 WeakPolarHBondContact OD1-CG2 3.28Å; D94-T155 PolarHBondContact OD1-OG1 3.42Å | ||
| 156 | E | 77.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | trans | -142.8 | 150.7 | 179.9 | -62.8 | -170.9 | 153.7 | 0 | 0 | 111.1 | W130 D154 | W130-E156 HydrophobicContact CZ2-CB 4.02Å; W130-E156 VanDerWaalsContact CZ2-OE2 3.22Å; W130-E156 WeakPolarHBondContact CZ2-OE2 3.3Å; D154-E156 HydrophobicContact CB-CG 4.43Å; D154-E156 PolarHBondContact O-N 2.84Å; D154-E156 VanDerWaalsContact O-N 3.08Å | ||
| 157 | V | 82.2 | Confident | 79.5 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 124.6 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | T92 V93 | T92-V157 WeakPolarHBondContact O-CA 3.41Å; V93-V157 HydrophobicContact CG1-CG2 4.32Å; V93-V157 HydrophobicContact CG2-CG1 4.32Å; V93-V157 HydrophobicContact CG2-CG2 4.25Å |
| 158 | N | 86.7 | Confident | 79.1 | Confident | 23 Ų | 23 | 93.7 Ų | 93.7 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.4 | 176.7 | 170.1 | 48.2 | 0 | 0 | 0 | 110.3 | R91 T92 P129 W130 | R91-N158 CarbonylContact C-O 3.59Å; R91-N158 VanDerWaalsContact CA-O 3.31Å; R91-N158 WeakPolarHBondContact CA-O 3.46Å; T92-N158 PolarHBondContact N-O 2.65Å; T92-N158 PolarHBondContact O-N 3.07Å; T92-N158 WeakPolarHBondContact OG1-CB 3.21Å; P129-N158 PolarHBondContact O-ND2 2.9Å; W130-N158 HydrophobicContact CD2-CB 4.09Å; W130-N158 HydrophobicContact CE3-CB 3.84Å; W130-N158 HydrophobicContact CH2-CB 3.88Å; W130-N158 HydrophobicContact CZ2-CB 4.1Å; W130-N158 HydrophobicContact CZ3-CB 3.75Å; W130-N158 VanDerWaalsContact CZ3-CG 3.49Å; W130-N158 WeakPolarHBondContact CZ3-OD1 3.5Å |
| 159 | E | 90 | Very high | 78.8 | Confident | 137 Ų | 137 | 94.2 Ų | 94.2 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.3 | 174.9 | -66.6 | -176.1 | 172.3 | 0 | 0 | 109.5 | ||
| 160 | V | 89.9 | Confident | 78.9 | Confident | 14 Ų | 14 | 96.1 Ų | 96.1 | 9% | 0.085 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.7 | -178 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | V90 T92 V132 A134 | V90-V160 HydrophobicContact CB-CB 4.07Å; V90-V160 HydrophobicContact CG1-CB 3.83Å; V90-V160 HydrophobicContact CG1-CG1 4.32Å; V90-V160 HydrophobicContact CG1-CG2 4.22Å; V90-V160 PolarHBondContact O-N 2.82Å; T92-V160 HydrophobicContact CG2-CG2 4.45Å; V132-V160 HydrophobicContact CB-CG2 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.26Å; V132-V160 HydrophobicContact CG1-CG2 4.08Å; A134-V160 HydrophobicContact CB-CG1 3.74Å |
| 161 | Y | 90.9 | Very high | 79.4 | Confident | 199 Ų | 199 | 100.3 Ų | 100.3 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 134.7 | 174.8 | -63.5 | -74.3 | 0 | 0 | 0 | 111.5 | ||
| 162 | I | 92.3 | Very high | 79.8 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 20% | 0.2 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.1 | 178.3 | -54.4 | 174.8 | 0 | 0 | 0 | 109 | V88 V90 A134 L136 L142 | V88-I162 HydrophobicContact CB-CD1 3.87Å; V88-I162 HydrophobicContact CG1-CD1 3.73Å; V88-I162 WeakPolarHBondContact O-CD1 3.41Å; V90-I162 HydrophobicContact CG2-CD1 3.99Å; V90-I162 HydrophobicContact CG2-CG1 4.08Å; A134-I162 HydrophobicContact CB-CB 4.42Å; A134-I162 HydrophobicContact CB-CG1 3.99Å; L136-I162 HydrophobicContact CB-CG2 3.53Å; L142-I162 HydrophobicContact CD1-CD1 4.42Å; L142-I162 HydrophobicContact CD1-CG1 4.48Å; L142-I162 HydrophobicContact CD1-CG2 3.99Å |
| 163 | S | 93.7 | Very high | 79.9 | Confident | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.5 | 172.2 | 60.7 | 0 | 0 | 0 | 0 | 111 | A134 A135 L136 | A134-S163 PolarHBondContact O-N 3.41Å; A134-S163 PolarHBondContact O-OG 2.98Å; A135-S163 CarbonylContact C-O 3.58Å; A135-S163 VanDerWaalsContact CA-O 3.27Å; A135-S163 WeakPolarHBondContact CA-O 3.5Å; A135-S163 WeakPolarHBondContact CB-OG 3.48Å; L136-S163 PolarHBondContact N-O 3.16Å |
| 164 | L | 92.3 | Very high | 79.9 | Confident | 116 Ų | 116 | 96.5 Ų | 96.5 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125 | 173.5 | -56.8 | -177.3 | 0 | 0 | 0 | 110.2 | P85 L136 | P85-L164 HydrophobicContact CB-CD2 3.64Å; P85-L164 HydrophobicContact CG-CD1 4.36Å; P85-L164 HydrophobicContact CG-CD2 3.62Å; L136-L164 HydrophobicContact CB-CD2 4.17Å; L136-L164 HydrophobicContact CD2-CD2 4.06Å; L136-L164 HydrophobicContact CG-CD2 4.44Å |
| 165 | L | 89.4 | Confident | 79.7 | Confident | 83 Ų | 83 | 97.8 Ų | 97.8 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 142.8 | 174.2 | -61.6 | 175.9 | 0 | 0 | 0 | 110.2 | A135 L136 | A135-L165 HydrophobicContact CB-CD1 4.33Å; A135-L165 HydrophobicContact CB-CD2 4.23Å; A135-L165 HydrophobicContact CB-CG 4.22Å; L136-L165 PolarHBondContact O-N 3.05Å |
| 166 | P | 86.3 | Confident | 79.6 | Confident | 113 Ų | 113 | 99 Ų | 99 | 73% | 0.734 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 148.1 | 175.2 | 27.8 | -34 | 0 | 0 | 0 | 110.5 | ||
| 167 | A | 85.2 | Confident | 78.6 | Confident | 68 Ų | 68 | 99.7 Ų | 99.7 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 144.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | H138 | H138-A167 HydrophobicContact CB-CB 4.23Š|
| 168 | P | 81.7 | Confident | 77.4 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.7 | 168.5 | 27 | -32.7 | 0 | 0 | 0 | 109.6 | H138 | H138-P168 WeakPolarHBondContact CE1-CD 3.28Å; H138-P168 WeakPolarHBondContact ND1-CD 3.38Å |
| 169 | P | 80.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 143.4 | 177.1 | 25.3 | -32.8 | 0 | 0 | 0 | 110.5 | E174 | P169-E174 HydrophobicContact CB-CG 4.3Å; P169-E174 HydrophobicContact CG-CG 4.39Å; P169-E174 WeakPolarHBondContact CG-OE1 3.41Å |
| 170 | D | 76.7 | Confident | 74.6 | Confident | 104 Ų | 104 | 106.5 Ų | 106.5 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.4 | 174.4 | -80.1 | -31.3 | 0 | 0 | 0 | 108.7 | E172 E173 | D170-E172 PolarHBondContact O-N 2.89Å; D170-E173 HydrophobicContact CB-CG 4.29Å; D170-E173 PolarHBondContact O-N 3.47Å |
| 171 | P | 74 | Confident | 72.6 | Confident | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -21 | -177.2 | 24.1 | -33.5 | 0 | 0 | 0 | 112.7 | ||
| 172 | E | 69 | Low | 70.8 | Confident | 168 Ų | 168 | 113.9 Ų | 113.9 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.6 | -30.4 | 176.9 | -62 | -174.5 | 177.8 | 0 | 0 | 112.6 | D170 | D170-E172 PolarHBondContact O-N 2.89Å |
| 173 | E | 60.3 | Low | 69.7 | Low | 116 Ų | 116 | 117.6 Ų | 117.6 | 54% | 0.542 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -77.8 | -31.3 | 179.7 | -68.1 | -171.1 | 164.3 | 0 | 0 | 112.2 | D170 E175 E176 I177 | D170-E173 HydrophobicContact CB-CG 4.29Å; D170-E173 PolarHBondContact O-N 3.47Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 2.8Å; E173-E176 PolarHBondContact O-N 3.2Å; E173-I177 WeakPolarHBondContact O-CG1 3.27Å; E173-I177 PolarHBondContact O-N 2.8Å; E173-I177 VanDerWaalsContact O-N 3.07Å |
| 174 | E | 58.8 | Low | 68.4 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.6 | -35 | 176.5 | -73 | -171.5 | 166.4 | 0 | 0 | 112.5 | P169 E176 A178 | P169-E174 HydrophobicContact CB-CG 4.3Å; P169-E174 HydrophobicContact CG-CG 4.39Å; P169-E174 WeakPolarHBondContact CG-OE1 3.41Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E174-A178 WeakPolarHBondContact O-CB 3.27Å; E174-A178 PolarHBondContact O-N 3.04Å |
| 175 | E | 57.5 | Low | 67.1 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.8 | -31.3 | 175.2 | -80.9 | -163.7 | -177.5 | 0 | 0 | 112.7 | E173 R179 | E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 2.8Å; E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.44Å; E175-R179 PolarHBondContact O-N 3.13Å |
| 176 | E | 56.9 | Low | 65.8 | Low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.5 | -40.4 | 176.7 | -164.3 | 168.6 | -174.4 | 0 | 0 | 111.2 | E173 E174 R179 V180 | E173-E176 PolarHBondContact O-N 3.2Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-V180 WeakPolarHBondContact O-CG2 3.32Å; E176-V180 PolarHBondContact O-N 3.36Å |
| 177 | I | 56.5 | Low | 64.5 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 175.9 | -62.1 | 164.4 | 0 | 0 | 0 | 111 | E173 R179 V180 | E173-I177 WeakPolarHBondContact O-CG1 3.27Å; E173-I177 PolarHBondContact O-N 2.8Å; E173-I177 VanDerWaalsContact O-N 3.07Å; I177-R179 PolarHBondContact O-N 3.31Å; I177-V180 PolarHBondContact O-N 3.44Å |
| 178 | A | 57.9 | Low | 63.1 | Low | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.7 | -18.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E174 | E174-A178 WeakPolarHBondContact O-CB 3.27Å; E174-A178 PolarHBondContact O-N 3.04Å |
| 179 | R | 58.4 | Low | 61.8 | Low | 204 Ų | 204 | 130.6 Ų | 130.6 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -10.7 | 176.2 | -74.6 | 177.6 | -172.4 | -153.4 | 8.2 | 113.9 | E175 E176 I177 | E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.44Å; E175-R179 PolarHBondContact O-N 3.13Å; E176-R179 PolarHBondContact O-N 2.96Å; I177-R179 PolarHBondContact O-N 3.31Å |
| 180 | V | 57.7 | Low | 60.4 | Low | 110 Ų | 110 | 134.5 Ų | 134.5 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -12.4 | -175.4 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | E176 I177 | E176-V180 WeakPolarHBondContact O-CG2 3.32Å; E176-V180 PolarHBondContact O-N 3.36Å; I177-V180 PolarHBondContact O-N 3.44Å |
| 181 | E | 49.1 | Very low | 59 | Low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -75 | 122 | 168.9 | -69.3 | -163.3 | 153.8 | 0 | 0 | 110.5 | ||||
| 182 | P | 51.9 | Low | 57.6 | Low | 200 Ų | 200 | 140.3 Ų | 140.3 | 100% | 1.299 | 72% | 0.716 | S | S | * | * | trans | -77.5 | 0 | -162.7 | 31.6 | -37.3 | 0 | 0 | 0 | 115.7 |
Retrieved 182 of 182 residues in 452.7 ms
(Link to these results)